methyl 2-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

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