2-[5-(cyanomethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(2,4-dimethylphenyl)guanidine

Systemtic Name: 2-[5-(cyanomethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(2,4-dimethylphenyl)guanidine Openeye Name: 2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]-1-(2,4-dimethylphenyl)guanidine CAS Name: 2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]-1-(2,4-dimethylphenyl)guanidine IUPAC Name: 2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]-1-(2,4-dimethylphenyl)guanidine Traditional Name: 2-[5-(cyanomethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]-1-(2,4-dimethylphenyl)guanidine Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=NC2=NC(=O)C(=C(N2)C)CC#N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N/C(=N\C2=NC(=O)C(=C(N2)C)CC#N)/N)C

InChI

InChI=1S/C16H18N6O/c1-9-4-5-13(10(2)8-9)20-15(18)22-16-19-11(3)12(6-7-17)14(23)21-16/h4-5,8H,6H2,1-3H3,(H4,18,19,20,21,22,23)