2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine

Systemtic Name: 2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine Openeye Name: 2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine CAS Name: 2-[6-[[(4-chlorophenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine IUPAC Name: 2-[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine Traditional Name: 2-[6-[[(4-chlorophenyl)thio]methyl]-4-keto-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine Formula: C20H20ClN5O3S MolecularWeight: 445.9225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=NC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)/N)OC

InChI

InChI=1S/C20H20ClN5O3S/c1-28-15-7-13(8-16(10-15)29-2)23-19(22)26-20-24-14(9-18(27)25-20)11-30-17-5-3-12(21)4-6-17/h3-10H,11H2,1-2H3,(H4,22,23,24,25,26,27)