8-methoxy-3-[6-(3-methylpiperidin-1-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methoxy-3-[6-(3-methylpiperidin-1-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[6-(3-methyl-1-piperidyl)-6-oxo-hexyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[6-(3-methyl-1-piperidinyl)-6-oxohexyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[6-(3-methylpiperidin-1-yl)-6-oxohexyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[6-keto-6-(3-methylpiperidino)hexyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CC1CCCN(C1)C(=O)CCCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C23H30N4O3S/c1-15-7-6-11-26(14-15)19(28)8-4-3-5-12-27-22(29)21-20(25-23(27)31)17-13-16(30-2)9-10-18(17)24-21/h9-10,13,15,24H,3-8,11-12,14H2,1-2H3,(H,25,31)