methyl 4-(2-azanyl-4-oxidanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-4-oxidanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate Openeye Name: methyl 4-(2-amino-4-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate CAS Name: 4-(2-amino-4-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-4-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate Traditional Name: 4-(2-amino-4-keto-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid methyl ester Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O3/c1-21-13(20)8-2-4-9(5-3-8)18-6-10-11(7-18)16-14(15)17-12(10)19/h2-5H,6-7H2,1H3,(H3,15,16,17,19)