5-methyl-3-(2-sulfanylethyl)pyrimido[5,4-b]indol-4-one

Systemtic Name: 5-methyl-3-(2-sulfanylethyl)pyrimido[5,4-b]indol-4-one Openeye Name: 5-methyl-3-(2-sulfanylethyl)pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-mercaptoethyl)-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 5-methyl-3-(2-sulfanylethyl)pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-mercaptoethyl)-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCS

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCS

InChI

InChI=1S/C13H13N3OS/c1-15-10-5-3-2-4-9(10)11-12(15)13(17)16(6-7-18)8-14-11/h2-5,8,18H,6-7H2,1H3