4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrol-1-yl]benzoic acid CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrol-1-yl]benzoic acid Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pyrrol-1-yl]benzoic acid Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C=CC(=C2)C3=C(NC(=NC3=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C=CC(=C2)C3=C(NC(=NC3=O)N)N

InChI

InChI=1S/C15H13N5O3/c16-12-11(13(21)19-15(17)18-12)9-5-6-20(7-9)10-3-1-8(2-4-10)14(22)23/h1-7H,(H,22,23)(H5,16,17,18,19,21)