1-(5-chloranyl-2-methoxy-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiourea Formula: C21H27ClN6OS MolecularWeight: 446.99668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C21H27ClN6OS/c1-13-11-14(2)24-19(23-13)27-20(25-16-7-5-4-6-8-16)28-21(30)26-17-12-15(22)9-10-18(17)29-3/h9-12,16H,4-8H2,1-3H3,(H3,23,24,25,26,27,28,30)