1-(2-chloranyl-3-methyl-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea

Systemtic Name: 1-(2-chloranyl-3-methyl-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Openeye Name: 1-(2-chloro-3-methyl-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea CAS Name: 1-(2-chloro-3-methylphenyl)-3-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]thiourea IUPAC Name: 1-(2-chloro-3-methylphenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Traditional Name: 1-(2-chloro-3-methyl-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiourea Formula: C21H27ClN6S MolecularWeight: 430.99728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC(=NC2CCCCC2)NC3=NC(=CC(=N3)C)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC(=NC2CCCCC2)NC3=NC(=CC(=N3)C)C)Cl

InChI

InChI=1S/C21H27ClN6S/c1-13-8-7-11-17(18(13)22)26-21(29)28-20(25-16-9-5-4-6-10-16)27-19-23-14(2)12-15(3)24-19/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H3,23,24,25,26,27,28,29)