2-[3-methyl-2,6-bis(oxidanylidene)-8-phenylazanyl-purin-7-yl]ethanoate

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-phenylazanyl-purin-7-yl]ethanoate Openeye Name: 2-(8-anilino-3-methyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-anilino-3-methyl-2,6-dioxo-7-purinyl)acetate IUPAC Name: 2-(8-anilino-3-methyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-anilino-2,6-diketo-3-methyl-purin-7-yl)acetate Formula: C14H12N5O4- MolecularWeight: 314.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O4/c1-18-11-10(12(22)17-14(18)23)19(7-9(20)21)13(16-11)15-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)(H,20,21)(H,17,22,23)/p-1