methyl 4-(4-oxidanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate

Systemtic Name: methyl 4-(4-oxidanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate Openeye Name: methyl 4-(4-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate CAS Name: 4-(4-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate Traditional Name: 4-(4-keto-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid methyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CC3=C(C2)NC=NC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC3=C(C2)NC=NC3=O

InChI

InChI=1S/C14H13N3O3/c1-20-14(19)9-2-4-10(5-3-9)17-6-11-12(7-17)15-8-16-13(11)18/h2-5,8H,6-7H2,1H3,(H,15,16,18)