2-(cyanoamino)-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-(cyanoamino)-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-(cyanoamino)-6-methyl-pyrimidin-4-olate CAS Name: 2-(cyanoamino)-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-(cyanoamino)-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-(cyanoamino)-6-methyl-pyrimidin-4-olate Formula: C13H11N4O- MolecularWeight: 239.25264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC#N)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)NC#N)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H12N4O/c1-9-11(7-10-5-3-2-4-6-10)12(18)17-13(16-9)15-8-14/h2-6H,7H2,1H3,(H2,15,16,17,18)/p-1