phenyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate

Systemtic Name: phenyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate Openeye Name: phenyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid phenyl ester IUPAC Name: phenyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate Traditional Name: 9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid phenyl ester Formula: C15H14N4O4 MolecularWeight: 314.29606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C15H14N4O4/c1-9(2)18-12-11(8-16-13(20)17-12)19(14(18)21)15(22)23-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17,20)