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

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)-3-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Openeye Name: 1-(2-chloro-4-methyl-phenyl)-3-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea CAS Name: 1-(2-chloro-4-methylphenyl)-3-[cyclopentylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]thiourea IUPAC Name: 1-(2-chloro-4-methylphenyl)-3-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Traditional Name: 1-(2-chloro-4-methyl-phenyl)-3-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiourea Formula: C20H25ClN6S MolecularWeight: 416.9707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN6S/c1-12-8-9-17(16(21)10-12)25-20(28)27-19(24-15-6-4-5-7-15)26-18-22-13(2)11-14(3)23-18/h8-11,15H,4-7H2,1-3H3,(H3,22,23,24,25,26,27,28)