4-[[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]methyl]benzoate Openeye Name: 4-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]methyl]benzoate CAS Name: 4-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]methyl]benzoate IUPAC Name: 4-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]methyl]benzoate Traditional Name: 4-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)amino]methyl]benzoate Formula: C13H12N3O3- MolecularWeight: 258.25268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H13N3O3/c1-8-6-11(17)16-13(15-8)14-7-9-2-4-10(5-3-9)12(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,14,15,16,17)/p-1