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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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