2-[8-[(4-aminocarbonylphenyl)amino]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 2-[8-[(4-aminocarbonylphenyl)amino]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-[8-(4-carbamoylanilino)-3-methyl-2,6-dioxo-purin-7-yl]acetic acid CAS Name: 2-[8-(4-carbamoylanilino)-3-methyl-2,6-dioxo-7-purinyl]acetic acid IUPAC Name: 2-[8-(4-carbamoylanilino)-3-methyl-2,6-dioxopurin-7-yl]acetic acid Traditional Name: 2-[8-(4-carbamoylanilino)-2,6-diketo-3-methyl-purin-7-yl]acetic acid Formula: C15H14N6O5 MolecularWeight: 358.30886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)C(=O)N)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)C(=O)N)CC(=O)O

InChI

InChI=1S/C15H14N6O5/c1-20-12-10(13(25)19-15(20)26)21(6-9(22)23)14(18-12)17-8-4-2-7(3-5-8)11(16)24/h2-5H,6H2,1H3,(H2,16,24)(H,17,18)(H,22,23)(H,19,25,26)