1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H27N5OS2 MolecularWeight: 417.59128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC2=C(N=C(N=C2C)SC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC2=C(N=C(N=C2C)SC)C)C

InChI

InChI=1S/C20H27N5OS2/c1-6-15-9-7-8-12(2)18(15)23-19(27)25-24-17(26)11-10-16-13(3)21-20(28-5)22-14(16)4/h7-9H,6,10-11H2,1-5H3,(H,24,26)(H2,23,25,27)