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

Systemtic Name: 2-[4-[4-(2-chloranylethanoyl)-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate Openeye Name: 2-[4-[4-(2-chloroacetyl)-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate CAS Name: butanoic acid 2-[4-[4-(2-chloro-1-oxoethyl)-3,5-dimethyl-1-piperazinyl]-2-pyrimidinyl]ethyl ester IUPAC Name: 2-[4-[4-(2-chloroacetyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethyl butanoate Traditional Name: butyric acid 2-[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)OCCC1=NC=CC(=N1)N2CC(N(C(C2)C)C(=O)CCl)C

Isomeric SMILES

CCCC(=O)OCCC1=NC=CC(=N1)N2CC(N(C(C2)C)C(=O)CCl)C

InChI

InChI=1S/C18H27ClN4O3/c1-4-5-18(25)26-9-7-15-20-8-6-16(21-15)22-11-13(2)23(14(3)12-22)17(24)10-19/h6,8,13-14H,4-5,7,9-12H2,1-3H3