methyl 2-[(3-azanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[(3-azanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: methyl 2-[(3-amino-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[(3-amino-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[(3-amino-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-phenylacetate Traditional Name: 2-[(3-amino-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-2-phenyl-acetic acid methyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C(=O)N2N)NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C(=O)N2N)NC4=CC=CC=C43

InChI

InChI=1S/C19H16N4O3S/c1-26-18(25)16(11-7-3-2-4-8-11)27-19-22-14-12-9-5-6-10-13(12)21-15(14)17(24)23(19)20/h2-10,16,21H,20H2,1H3