1-[4-(3-phenylpiperazin-1-yl)pyrimidin-2-yl]ethyl butanoate

Systemtic Name: 1-[4-(3-phenylpiperazin-1-yl)pyrimidin-2-yl]ethyl butanoate Openeye Name: 1-[4-(3-phenylpiperazin-1-yl)pyrimidin-2-yl]ethyl butanoate CAS Name: butanoic acid 1-[4-(3-phenyl-1-piperazinyl)-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-(3-phenylpiperazin-1-yl)pyrimidin-2-yl]ethyl butanoate Traditional Name: butyric acid 1-[4-(3-phenylpiperazino)pyrimidin-2-yl]ethyl ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CCNC(C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CCNC(C2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-3-7-19(25)26-15(2)20-22-11-10-18(23-20)24-13-12-21-17(14-24)16-8-5-4-6-9-16/h4-6,8-11,15,17,21H,3,7,12-14H2,1-2H3