1-(3-chlorophenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(3-chlorophenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(3-chlorophenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(3-chlorophenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(3-chlorophenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]guanidine Traditional Name: 1-(3-chlorophenyl)-2-[5-(cyanomethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]guanidine Formula: C14H13ClN6O MolecularWeight: 316.74562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N=C(N)NC2=CC(=CC=C2)Cl)CC#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)/N=C(/N)\NC2=CC(=CC=C2)Cl)CC#N

InChI

InChI=1S/C14H13ClN6O/c1-8-11(5-6-16)12(22)20-14(18-8)21-13(17)19-10-4-2-3-9(15)7-10/h2-4,7H,5H2,1H3,(H4,17,18,19,20,21,22)