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

Systemtic Name: 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propoxy]benzoic acid Openeye Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propoxy]benzoic acid CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propoxy]benzoic acid IUPAC Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propoxy]benzoic acid Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propoxy]benzoic acid Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C14H16N4O4/c15-11-10(12(19)18-14(16)17-11)2-1-7-22-9-5-3-8(4-6-9)13(20)21/h3-6H,1-2,7H2,(H,20,21)(H5,15,16,17,18,19)