5-[2-azanyl-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pentanoic acid

Systemtic Name: 5-[2-azanyl-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pentanoic acid Openeye Name: 5-[2-amino-4-oxo-6-(p-tolyl)-1H-pyrimidin-5-yl]pentanoic acid CAS Name: 5-[2-amino-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-5-yl]pentanoic acid IUPAC Name: 5-[2-amino-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-5-yl]pentanoic acid Traditional Name: 5-[2-amino-4-keto-6-(p-tolyl)-1H-pyrimidin-5-yl]valeric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCCC(=O)O

InChI

InChI=1S/C16H19N3O3/c1-10-6-8-11(9-7-10)14-12(4-2-3-5-13(20)21)15(22)19-16(17)18-14/h6-9H,2-5H2,1H3,(H,20,21)(H3,17,18,19,22)