4-[1,3-dimethyl-2,4-bis(oxidanylidene)-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

Systemtic Name: 4-[1,3-dimethyl-2,4-bis(oxidanylidene)-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate Openeye Name: 4-(1,3-dimethyl-2,4-dioxo-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate CAS Name: 4-(1,3-dimethyl-2,4-dioxo-5-phenyl-6-pyrrolo[3,4-d]pyrimidinyl)benzoate IUPAC Name: 4-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)benzoate Traditional Name: 4-(2,4-diketo-1,3-dimethyl-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl)benzoate Formula: C21H16N3O4- MolecularWeight: 374.36944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H17N3O4/c1-22-16-12-24(15-10-8-14(9-11-15)20(26)27)18(13-6-4-3-5-7-13)17(16)19(25)23(2)21(22)28/h3-12H,1-2H3,(H,26,27)/p-1