For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,8-Bis(dimethylamino)-4,6-bis(propylamino)-5-(4-chlorophenyl)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
SpectraBase Compound ID JuEVb7GjzKa
InChI InChI=1S/C25H33ClN8S/c1-7-13-27-20-18-17(15-9-11-16(26)12-10-15)19-21(28-14-8-2)30-25(34(5)6)32-23(19)35-22(18)31-24(29-20)33(3)4/h9-12,17H,7-8,13-14H2,1-6H3,(H,27,29,31)(H,28,30,32)
InChIKey KOYXNOOXEVLZOB-UHFFFAOYSA-N
Mol Weight 513.1 g/mol
Molecular Formula C25H33ClN8S
Exact Mass 512.223742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CQ2oBvP3KWI
Name 2,8-Bis(dimethylamino)-4,6-bis(propylamino)-5-(4-chlorophenyl)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
Alternate Name(s) 5-(4-chlorophenyl)-N(2),N(2),N(8),N(8)-tetramethyl-N(4),N(6)-dipropyl-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidine-2,4,6,8-tetramine N-[5-(4-chlorophenyl)-2,8-bis(dimethylamino)-6-(propylamino)-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidin-4-yl]-N-propylamine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33ClN8S
InChI InChI=1S/C25H33ClN8S/c1-7-13-27-20-18-17(15-9-11-16(26)12-10-15)19-21(28-14-8-2)30-25(34(5)6)32-23(19)35-22(18)31-24(29-20)33(3)4/h9-12,17H,7-8,13-14H2,1-6H3,(H,27,29,31)(H,28,30,32)
InChIKey KOYXNOOXEVLZOB-UHFFFAOYSA-N
Molecular Weight 513.108 g/mol
SMILES N(c1nc(nc2c1C(c1c(nc(nc1NCCC)N(C)C)S2)c1ccc(cc1)Cl)N(C)C)CCC
SPLASH splash10-0udi-0000920000-2dcd16a195c920dc386a
Source of Spectrum H1-52-345-6
Wiley ID 817557