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

Systemtic Name: dimethyl 5-[[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[cyclopropylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CC2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CC2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C21H24N6O4S/c1-11-7-12(2)23-19(22-11)26-20(24-15-5-6-15)27-21(32)25-16-9-13(17(28)30-3)8-14(10-16)18(29)31-4/h7-10,15H,5-6H2,1-4H3,(H3,22,23,24,25,26,27,32)