methyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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