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

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenylazanylphenyl)thiourea Openeye Name: 1-(4-anilinophenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea CAS Name: 1-(4-anilinophenyl)-3-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]thiourea IUPAC Name: 1-(4-anilinophenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Traditional Name: 1-(4-anilinophenyl)-3-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiourea Formula: C26H31N7S MolecularWeight: 473.63624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCCC2)NC(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H31N7S/c1-18-17-19(2)28-24(27-18)32-25(30-21-11-7-4-8-12-21)33-26(34)31-23-15-13-22(14-16-23)29-20-9-5-3-6-10-20/h3,5-6,9-10,13-17,21,29H,4,7-8,11-12H2,1-2H3,(H3,27,28,30,31,32,33,34)