2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(4-propan-2-ylphenyl)guanidine

Systemtic Name: 2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(4-propan-2-ylphenyl)guanidine Openeye Name: 1-(4-isopropylphenyl)-2-[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 2-[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(4-propan-2-ylphenyl)guanidine IUPAC Name: 2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]-1-(4-propan-2-ylphenyl)guanidine Traditional Name: 2-[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]-1-p-cumenyl-guanidine Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N=C(N)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N=C(N)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H25N5OS/c1-14(2)16-6-8-17(9-7-16)24-21(23)27-22-25-18(12-20(28)26-22)13-29-19-10-4-15(3)5-11-19/h4-12,14H,13H2,1-3H3,(H4,23,24,25,26,27,28)