4-[2-[[2,4-bis(azanyl)-6-oxidanylidene-pyrimidin-5-ylidene]methyl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[[2,4-bis(azanyl)-6-oxidanylidene-pyrimidin-5-ylidene]methyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(2,4-diamino-6-oxo-pyrimidin-5-ylidene)methyl]hydrazino]benzoic acid CAS Name: 4-[(2,4-diamino-6-oxo-5-pyrimidinylidene)methylhydrazo]benzoic acid IUPAC Name: 4-[2-[(2,4-diamino-6-oxopyrimidin-5-ylidene)methyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(2,4-diamino-6-keto-pyrimidin-5-ylidene)methyl]hydrazino]benzoic acid Formula: C12H12N6O3 MolecularWeight: 288.26208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NNC=C2C(=NC(=NC2=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NNC=C2C(=NC(=NC2=O)N)N

InChI

InChI=1S/C12H12N6O3/c13-9-8(10(19)17-12(14)16-9)5-15-18-7-3-1-6(2-4-7)11(20)21/h1-5,15,18H,(H,20,21)(H4,13,14,16,17,19)