3-(3,4-dimethoxyphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-(prop-2-ynylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-prop-2-ynylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-(propargylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-4-11-28-21-23-18-14-7-5-6-8-15(14)22-19(18)20(25)24(21)13-9-10-16(26-2)17(12-13)27-3/h1,5-10,12,22H,11H2,2-3H3