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

Systemtic Name: 4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]piperidin-1-yl]benzoic acid Openeye Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidyl]benzoic acid CAS Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidinyl]benzoic acid IUPAC Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]benzoic acid Traditional Name: 4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)piperidino]benzoic acid Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H19N5O3/c17-13-12(14(22)20-16(18)19-13)9-5-7-21(8-6-9)11-3-1-10(2-4-11)15(23)24/h1-4,9H,5-8H2,(H,23,24)(H5,17,18,19,20,22)