3-(2-methoxyethyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-methoxyethyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-(3-pyridylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-(3-pyridinylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-methoxyethyl)-2-(3-pyridylmethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CN=CC=C4

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CN=CC=C4

InChI

InChI=1S/C19H18N4O2S/c1-25-10-9-23-18(24)17-16(14-6-2-3-7-15(14)21-17)22-19(23)26-12-13-5-4-8-20-11-13/h2-8,11,21H,9-10,12H2,1H3