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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC(=NC2CCCC2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC(=NC2CCCC2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H28N6S/c1-4-16-9-5-8-12-18(16)25-21(28)27-20(24-17-10-6-7-11-17)26-19-22-14(2)13-15(3)23-19/h5,8-9,12-13,17H,4,6-7,10-11H2,1-3H3,(H3,22,23,24,25,26,27,28)