HIT ID: HIT218852211
Cas No: 126869-04-3
分子式: C22H32Cl2N4O2
分子量: 455.42
常用名: IGN-2098 dihydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5,6-dimethyl-2-{[(2Z)-4-{3-[(piperidin-1-yl)methyl]phenoxy}but-2-en-1-yl]amino}-1,4-dihydropyrimidin-4-one dihydrochloride
IUPAC: 5,6-dimethyl-2-{[(2Z)-4-{3-[(piperidin-1-yl)methyl]phenoxy}but-2-en-1-yl]amino}-1,4-dihydropyrimidin-4-one dihydrochloride
SMILES: Cl.Cl.Cc1[nH]c(NC\C=C/COc2cccc(CN3CCCCC3)c2)nc(=O)c1C
SMILES: Cl.Cl.Cc1[nH]c(NC\C=C/COc2cccc(CN3CCCCC3)c2)nc(=O)c1C
InChI key: NTLKFRQIRDDXCH-XIFWRFGDSA-N