1-[4-[4-(2-chloranylethanoyl)-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate

Systemtic Name: 1-[4-[4-(2-chloranylethanoyl)-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate Openeye Name: 1-[4-[4-(2-chloroacetyl)-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate CAS Name: butanoic acid 1-[4-[4-(2-chloro-1-oxoethyl)-3,5-dimethyl-1-piperazinyl]-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-[4-(2-chloroacetyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethyl butanoate Traditional Name: butyric acid 1-[4-[4-(2-chloroacetyl)-3,5-dimethyl-piperazino]pyrimidin-2-yl]ethyl ester Formula: C18H27ClN4O3 MolecularWeight: 382.88498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CC(N(C(C2)C)C(=O)CCl)C

Isomeric SMILES

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CC(N(C(C2)C)C(=O)CCl)C

InChI

InChI=1S/C18H27ClN4O3/c1-5-6-17(25)26-14(4)18-20-8-7-15(21-18)22-10-12(2)23(13(3)11-22)16(24)9-19/h7-8,12-14H,5-6,9-11H2,1-4H3