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

Systemtic Name: 3-[5-(3,5-dimethylpiperidin-1-yl)-5-oxidanylidene-pentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[5-(3,5-dimethyl-1-piperidyl)-5-oxo-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[5-(3,5-dimethyl-1-piperidinyl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[5-(3,5-dimethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-(3,5-dimethylpiperidino)-5-keto-pentyl]-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:

CC1CC(CN(C1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S)C

InChI

InChI=1S/C23H30N4O3S/c1-14-10-15(2)13-26(12-14)19(28)6-4-5-9-27-22(29)21-20(25-23(27)31)17-11-16(30-3)7-8-18(17)24-21/h7-8,11,14-15,24H,4-6,9-10,12-13H2,1-3H3,(H,25,31)