3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-6-methylsulfanyl-1H-imidazo[4,5-g]quinazoline-2-thione

Systemtic Name: 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-6-methylsulfanyl-1H-imidazo[4,5-g]quinazoline-2-thione Openeye Name: 3-ethyl-8-[[2-[4-(hydroxymethyl)-1-piperidyl]phenyl]methylamino]-6-methylsulfanyl-1H-imidazo[4,5-g]quinazoline-2-thione CAS Name: 3-ethyl-8-[[2-[4-(hydroxymethyl)-1-piperidinyl]phenyl]methylamino]-6-(methylthio)-1H-imidazo[4,5-g]quinazoline-2-thione IUPAC Name: 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-6-methylsulfanyl-1H-imidazo[4,5-g]quinazoline-2-thione Traditional Name: 3-ethyl-8-[[2-(4-methylolpiperidino)benzyl]amino]-6-(methylthio)-1H-imidazo[4,5-g]quinazoline-2-thione Formula: C25H30N6OS2 MolecularWeight: 494.6753

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=C(N=C3NCC4=CC=CC=C4N5CCC(CC5)CO)SC)NC1=S

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=C(N=C3NCC4=CC=CC=C4N5CCC(CC5)CO)SC)NC1=S

InChI

InChI=1S/C25H30N6OS2/c1-3-31-22-13-19-18(12-20(22)28-25(31)33)23(29-24(27-19)34-2)26-14-17-6-4-5-7-21(17)30-10-8-16(15-32)9-11-30/h4-7,12-13,16,32H,3,8-11,14-15H2,1-2H3,(H,28,33)(H,26,27,29)