1-(2,4-dimethylphenyl)-2-[4-oxidanylidene-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(2,4-dimethylphenyl)-2-[4-oxidanylidene-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(2,4-dimethylphenyl)-2-[4-oxo-6-(2-pyridylsulfanylmethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(2,4-dimethylphenyl)-2-[4-oxo-6-[(2-pyridinylthio)methyl]-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(2,4-dimethylphenyl)-2-[4-oxo-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]guanidine Traditional Name: 1-(2,4-dimethylphenyl)-2-[4-keto-6-[(2-pyridylthio)methyl]-1H-pyrimidin-2-yl]guanidine Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CSC3=CC=CC=N3)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=CC=CC=N3)/N)C

InChI

InChI=1S/C19H20N6OS/c1-12-6-7-15(13(2)9-12)23-18(20)25-19-22-14(10-16(26)24-19)11-27-17-5-3-4-8-21-17/h3-10H,11H2,1-2H3,(H4,20,22,23,24,25,26)