dimethyl 5-[[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[cyclopentylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H28N6O4S MolecularWeight: 484.57122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCC2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCC2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C23H28N6O4S/c1-13-9-14(2)25-21(24-13)28-22(26-17-7-5-6-8-17)29-23(34)27-18-11-15(19(30)32-3)10-16(12-18)20(31)33-4/h9-12,17H,5-8H2,1-4H3,(H3,24,25,26,27,28,29,34)