[2-azanyl-3-[4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]phenyl]propanoyl] 2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoate

Systemtic Name: [2-azanyl-3-[4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]phenyl]propanoyl] 2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoate Openeye Name: [2-amino-3-[4-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]phenyl]propanoyl] 2-ethyl-2-(pyrrolidine-1-carbonyl)butanoate CAS Name: 2-ethyl-2-[oxo(1-pyrrolidinyl)methyl]butanoic acid [2-amino-3-[4-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]phenyl]-1-oxopropyl] ester IUPAC Name: [2-amino-3-[4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]phenyl]propanoyl] 2-ethyl-2-(pyrrolidine-1-carbonyl)butanoate Traditional Name: 2-ethyl-2-(pyrrolidine-1-carbonyl)butyric acid [2-amino-3-[4-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]phenyl]propanoyl] ester Formula: C26H32ClN5O5S MolecularWeight: 562.08078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)N1CCCC1)C(=O)OC(=O)C(CC2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC)N

Isomeric SMILES

CCC(CC)(C(=O)N1CCCC1)C(=O)OC(=O)C(CC2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC)N

InChI

InChI=1S/C26H32ClN5O5S/c1-4-26(5-2,23(35)32-12-6-7-13-32)24(36)37-22(34)19(28)14-16-8-10-17(11-9-16)30-21(33)20-18(27)15-29-25(31-20)38-3/h8-11,15,19H,4-7,12-14,28H2,1-3H3,(H,30,33)