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

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(4-phenoxyphenyl)thiourea Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C26H30N6OS/c1-18-17-19(2)28-24(27-18)31-25(29-20-9-5-3-6-10-20)32-26(34)30-21-13-15-23(16-14-21)33-22-11-7-4-8-12-22/h4,7-8,11-17,20H,3,5-6,9-10H2,1-2H3,(H3,27,28,29,30,31,32,34)