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

Systemtic Name: ethyl 4-[3-[2,6-bis(oxidanylidene)-3H-purin-9-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-(2,6-dioxo-3H-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(2,6-dioxo-3H-purin-9-yl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,6-dioxo-3H-purin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(2,6-diketo-3H-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c1-2-27-16(25)10-3-5-11(6-4-10)19-12(23)7-8-22-9-18-13-14(22)20-17(26)21-15(13)24/h3-6,9H,2,7-8H2,1H3,(H,19,23)(H2,20,21,24,26)