3-(3-methoxyphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3-methoxyphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5

InChI

InChI=1S/C24H24N4O3S/c1-31-17-9-7-8-16(14-17)28-23(30)22-21(18-10-3-4-11-19(18)25-22)26-24(28)32-15-20(29)27-12-5-2-6-13-27/h3-4,7-11,14,25H,2,5-6,12-13,15H2,1H3