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

Systemtic Name: 8-methoxy-3-[5-(3-methylpiperidin-1-yl)-5-oxidanylidene-pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[5-(3-methyl-1-piperidyl)-5-oxo-pentyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[5-(3-methyl-1-piperidinyl)-5-oxopentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[5-(3-methylpiperidin-1-yl)-5-oxopentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-keto-5-(3-methylpiperidino)pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CC1CCCN(C1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C22H28N4O3S/c1-14-6-5-10-25(13-14)18(27)7-3-4-11-26-21(28)20-19(24-22(26)30)16-12-15(29-2)8-9-17(16)23-20/h8-9,12,14,23H,3-7,10-11,13H2,1-2H3,(H,24,30)