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

Systemtic Name: 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-3-24-20(26)19-18(15-6-4-5-7-16(15)22-19)23-21(24)28-12-17(25)13-8-10-14(27-2)11-9-13/h4-11,22H,3,12H2,1-2H3