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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N5O3S/c1-22-7-6-8-27(23(22)2)33-13-15-34(16-14-33)28(36)9-4-3-5-12-35-29(37)25-21-24(32-17-19-38-20-18-32)10-11-26(25)31-30(35)39/h6-8,10-11,21H,3-5,9,12-20H2,1-2H3,(H,31,39)