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

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(o-tolyl)thiourea CAS Name: 1-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(o-tolyl)thiourea Formula: C21H28N6S MolecularWeight: 396.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=NC2CCCCC2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=NC2CCCCC2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H28N6S/c1-14-9-7-8-12-18(14)25-21(28)27-20(24-17-10-5-4-6-11-17)26-19-22-15(2)13-16(3)23-19/h7-9,12-13,17H,4-6,10-11H2,1-3H3,(H3,22,23,24,25,26,27,28)