methyl 4-[2-(6-oxidanylidene-3H-purin-9-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-oxidanylidene-3H-purin-9-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-oxo-3H-purin-9-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(6-oxo-3H-purin-9-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-oxo-3H-purin-9-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(6-keto-3H-purin-9-yl)acetyl]amino]benzoic acid methyl ester Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC=NC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C15H13N5O4/c1-24-15(23)9-2-4-10(5-3-9)19-11(21)6-20-8-18-12-13(20)16-7-17-14(12)22/h2-5,7-8H,6H2,1H3,(H,19,21)(H,16,17,22)