2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3,4-dimethylphenyl)guanidine

Systemtic Name: 2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3,4-dimethylphenyl)guanidine Openeye Name: 2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3,4-dimethylphenyl)guanidine CAS Name: 2-[6-[[(4-chlorophenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3,4-dimethylphenyl)guanidine IUPAC Name: 2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3,4-dimethylphenyl)guanidine Traditional Name: 2-[6-[[(4-chlorophenyl)thio]methyl]-4-keto-1H-pyrimidin-2-yl]-1-(3,4-dimethylphenyl)guanidine Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=N\C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)/N)C

InChI

InChI=1S/C20H20ClN5OS/c1-12-3-6-15(9-13(12)2)23-19(22)26-20-24-16(10-18(27)25-20)11-28-17-7-4-14(21)5-8-17/h3-10H,11H2,1-2H3,(H4,22,23,24,25,26,27)