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

Systemtic Name: 4-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]-4-oxidanyl-4-oxidanylidene-butyl]benzoic acid Openeye Name: 4-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-4-oxo-butyl]benzoic acid CAS Name: 4-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-4-oxobutyl]benzoic acid IUPAC Name: 4-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-4-oxobutyl]benzoic acid Traditional Name: 4-[3-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)methyl]-4-hydroxy-4-keto-butyl]benzoic acid Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CC2=C(NC(=NC2=O)N)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(CC2=C(NC(=NC2=O)N)N)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N4O5/c17-12-11(13(21)20-16(18)19-12)7-10(15(24)25)6-3-8-1-4-9(5-2-8)14(22)23/h1-2,4-5,10H,3,6-7H2,(H,22,23)(H,24,25)(H5,17,18,19,20,21)