4-[4-[2-azanyl-6-(methylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CNC1=C(C(=O)N=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H20N4O3/c1-18-13-12(14(21)20-16(17)19-13)5-3-2-4-10-6-8-11(9-7-10)15(22)23/h6-9H,2-5H2,1H3,(H,22,23)(H4,17,18,19,20,21)