ethyl 4-[4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28ClN5O3S MolecularWeight: 490.01812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C23H28ClN5O3S/c1-2-32-23(31)29-13-11-28(12-14-29)21(30)18-7-5-17(6-8-18)16-33-22-25-19(24)15-20(26-22)27-9-3-4-10-27/h5-8,15H,2-4,9-14,16H2,1H3