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

Systemtic Name: 2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine Openeye Name: 2-[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine CAS Name: 2-[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine IUPAC Name: 2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine Traditional Name: 2-[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine Formula: C25H23N5O2S MolecularWeight: 457.54742

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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)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)/N=C(\N)/NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2S/c1-17-7-13-22(14-8-17)33-16-19-15-23(31)29-25(28-19)30-24(26)27-18-9-11-21(12-10-18)32-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H4,26,27,28,29,30,31)