ethyl 4-[2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-methyl-2,6-dioxo-purin-7-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-methyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-methyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,6-diketo-3-methyl-purin-7-yl)acetyl]amino]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)CN2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChI=1S/C17H17N5O5/c1-3-27-16(25)10-4-6-11(7-5-10)19-12(23)8-22-9-18-14-13(22)15(24)20-17(26)21(14)2/h4-7,9H,3,8H2,1-2H3,(H,19,23)(H,20,24,26)