1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[cyclopentylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(3,5-dimethylphenyl)thiourea Formula: C21H28N6S MolecularWeight: 396.55222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC(=NC2CCCC2)NC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC(=NC2CCCC2)NC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C21H28N6S/c1-13-9-14(2)11-18(10-13)25-21(28)27-20(24-17-7-5-6-8-17)26-19-22-15(3)12-16(4)23-19/h9-12,17H,5-8H2,1-4H3,(H3,22,23,24,25,26,27,28)