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

Systemtic Name: 4-[5-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pentyl]benzoic acid Openeye Name: 4-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentyl]benzoic acid CAS Name: 4-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentyl]benzoic acid IUPAC Name: 4-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentyl]benzoic acid Traditional Name: 4-[5-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pentyl]benzoic acid Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCC2=C(NC(=NC2=O)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCC2=C(NC(=NC2=O)N)N)C(=O)O

InChI

InChI=1S/C16H20N4O3/c17-13-12(14(21)20-16(18)19-13)5-3-1-2-4-10-6-8-11(9-7-10)15(22)23/h6-9H,1-5H2,(H,22,23)(H5,17,18,19,20,21)