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

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(4-fluorophenyl)thiourea Formula: C20H25FN6S MolecularWeight: 400.516103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN6S/c1-13-12-14(2)23-18(22-13)26-19(24-16-6-4-3-5-7-16)27-20(28)25-17-10-8-15(21)9-11-17/h8-12,16H,3-7H2,1-2H3,(H3,22,23,24,25,26,27,28)