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

Systemtic Name: ethyl 4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-keto-3H-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C17H17N5O4 MolecularWeight: 355.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4/c1-2-26-17(25)11-3-5-12(6-4-11)21-13(23)7-8-22-10-20-14-15(22)18-9-19-16(14)24/h3-6,9-10H,2,7-8H2,1H3,(H,21,23)(H,18,19,24)