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

Systemtic Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenyl-thiourea Openeye Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenyl-thiourea CAS Name: 1-[cyclohexylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-phenylthiourea IUPAC Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenylthiourea Traditional Name: 1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-phenyl-thiourea Formula: C20H26N6S MolecularWeight: 382.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6S/c1-14-13-15(2)22-18(21-14)25-19(23-16-9-5-3-6-10-16)26-20(27)24-17-11-7-4-8-12-17/h4,7-8,11-13,16H,3,5-6,9-10H2,1-2H3,(H3,21,22,23,24,25,26,27)