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

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-ethylphenyl)thiourea Openeye Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(2-ethylphenyl)thiourea Formula: C22H30N6S MolecularWeight: 410.5788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC(=NC2CCCCC2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC(=NC2CCCCC2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H30N6S/c1-4-17-10-8-9-13-19(17)26-22(29)28-21(25-18-11-6-5-7-12-18)27-20-23-15(2)14-16(3)24-20/h8-10,13-14,18H,4-7,11-12H2,1-3H3,(H3,23,24,25,26,27,28,29)