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

Systemtic Name: 3-[5-(2-ethylpiperidin-1-yl)-5-oxidanylidene-pentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[5-(2-ethyl-1-piperidyl)-5-oxo-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[5-(2-ethyl-1-piperidinyl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[5-(2-ethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-(2-ethylpiperidino)-5-keto-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CCC1CCCCN1C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C23H30N4O3S/c1-3-15-8-4-6-12-26(15)19(28)9-5-7-13-27-22(29)21-20(25-23(27)31)17-14-16(30-2)10-11-18(17)24-21/h10-11,14-15,24H,3-9,12-13H2,1-2H3,(H,25,31)