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

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(2-methoxyphenyl)thiourea Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C21H28N6OS/c1-14-13-15(2)23-19(22-14)26-20(24-16-9-5-4-6-10-16)27-21(29)25-17-11-7-8-12-18(17)28-3/h7-8,11-13,16H,4-6,9-10H2,1-3H3,(H3,22,23,24,25,26,27,29)