ethyl 4-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C17H18N6O4/c1-2-27-16(26)10-3-5-11(6-4-10)20-12(24)7-8-23-9-19-13-14(23)21-17(18)22-15(13)25/h3-6,9H,2,7-8H2,1H3,(H,20,24)(H3,18,21,22,25)