1-[[2-cyclohexylsulfanyl-5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]amino]thiourea

Systemtic Name: 1-[[2-cyclohexylsulfanyl-5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]amino]thiourea Openeye Name: [[2-cyclohexylsulfanyl-5-methyl-6-(m-tolylmethyl)pyrimidin-4-yl]amino]thiourea CAS Name: [[2-(cyclohexylthio)-5-methyl-6-[(3-methylphenyl)methyl]-4-pyrimidinyl]amino]thiourea IUPAC Name: [[2-cyclohexylsulfanyl-5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]amino]thiourea Traditional Name: [[2-(cyclohexylthio)-5-methyl-6-(3-methylbenzyl)pyrimidin-4-yl]amino]thiourea Formula: C20H27N5S2 MolecularWeight: 401.59188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(C(=NC(=N2)SC3CCCCC3)NNC(=S)N)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(C(=NC(=N2)SC3CCCCC3)NNC(=S)N)C

InChI

InChI=1S/C20H27N5S2/c1-13-7-6-8-15(11-13)12-17-14(2)18(24-25-19(21)26)23-20(22-17)27-16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H3,21,25,26)(H,22,23,24)