Catalog Number:
AG009CIP
Chemical Name:
KHK-IN-1 hydrochloride
CAS Number:
1303470-48-5
Molecular Formula:
C21H27ClN8S
Molecular Weight:
459.0107
MDL Number:
MFCD29472233
IUPAC Name:
8-N-(cyclopropylmethyl)-4-N-(2-methylsulfanylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine;hydrochloride
InChI:
InChI=1S/C21H26N8S.ClH/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29;/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28);1H
InChI Key:
VKIBPWKARAEIHN-UHFFFAOYSA-N
SMILES:
CSc1ccccc1Nc1nc(nc2c1ncnc2NCC1CC1)N1CCNCC1.Cl
