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

Systemtic Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[cyclopentylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(4-phenoxyphenyl)thiourea Formula: C25H28N6OS MolecularWeight: 460.59442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCC2)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCC2)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N6OS/c1-17-16-18(2)27-23(26-17)30-24(28-19-8-6-7-9-19)31-25(33)29-20-12-14-22(15-13-20)32-21-10-4-3-5-11-21/h3-5,10-16,19H,6-9H2,1-2H3,(H3,26,27,28,29,30,31,33)