6-[4-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]piperidin-1-yl]-2-butylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-[4-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]piperidin-1-yl]-2-butylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 2-butylsulfanyl-6-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-1-piperidyl]pyrimidine-4-carboxylic acid CAS Name: 2-(butylthio)-6-[4-[[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)-oxomethyl]amino]-1-piperidinyl]-4-pyrimidinecarboxylic acid IUPAC Name: 2-butylsulfanyl-6-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyrimidine-4-carboxylic acid Traditional Name: 2-(butylthio)-6-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidino]pyrimidine-4-carboxylic acid Formula: C20H25Cl2N5O3S MolecularWeight: 486.4152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CC(=N1)N2CCC(CC2)NC(=O)C3=C(C(=C(N3)C)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCSC1=NC(=CC(=N1)N2CCC(CC2)NC(=O)C3=C(C(=C(N3)C)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H25Cl2N5O3S/c1-3-4-9-31-20-25-13(19(29)30)10-14(26-20)27-7-5-12(6-8-27)24-18(28)17-16(22)15(21)11(2)23-17/h10,12,23H,3-9H2,1-2H3,(H,24,28)(H,29,30)