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

Systemtic Name: 3-prop-2-enyl-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-(3-pyridylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-prop-2-enyl-2-(3-pyridinylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-prop-2-enyl-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-(3-pyridylmethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CN=CC=C4

InChI

InChI=1S/C19H16N4OS/c1-2-10-23-18(24)17-16(14-7-3-4-8-15(14)21-17)22-19(23)25-12-13-6-5-9-20-11-13/h2-9,11,21H,1,10,12H2