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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(3-chloro-4-methylphenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(3-chloro-4-methylphenyl)-2-[5-(cyanomethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]guanidine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-2-[5-(cyanomethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]guanidine Formula: C15H15ClN6O MolecularWeight: 330.7722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN6O/c1-8-3-4-10(7-12(8)16)20-14(18)22-15-19-9(2)11(5-6-17)13(23)21-15/h3-4,7H,5H2,1-2H3,(H4,18,19,20,21,22,23)