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

Systemtic Name: ethyl 4-[4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30ClN5O3S MolecularWeight: 492.034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)Cl

InChI

InChI=1S/C23H30ClN5O3S/c1-4-27(5-2)20-15-19(24)25-22(26-20)33-16-17-7-9-18(10-8-17)21(30)28-11-13-29(14-12-28)23(31)32-6-3/h7-10,15H,4-6,11-14,16H2,1-3H3