3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxo-hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-oxohexyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(2,5-dimethylphenyl)piperazino]-6-keto-hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C30H39N5O3S MolecularWeight: 549.72736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C30H39N5O3S/c1-22-7-8-23(2)27(20-22)33-12-14-34(15-13-33)28(36)6-4-3-5-11-35-29(37)25-21-24(32-16-18-38-19-17-32)9-10-26(25)31-30(35)39/h7-10,20-21H,3-6,11-19H2,1-2H3,(H,31,39)