methyl 5-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)C)C(=O)OC

InChI

InChI=1S/C24H27N5O4S/c1-6-18-19(23(32)33-5)15(4)20(27-18)22(31)29-28-21(30)17-9-7-16(8-10-17)12-34-24-25-13(2)11-14(3)26-24/h7-11,27H,6,12H2,1-5H3,(H,28,30)(H,29,31)