ethyl 2-[4-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]propanoate

Systemtic Name: ethyl 2-[4-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]propanoate Openeye Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)-4-chloro-pyrimidin-5-yl]propanoate CAS Name: 2-[4-chloro-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)-4-chloropyrimidin-5-yl]propanoate Traditional Name: 2-[2-(4-benzylpiperazino)-4-chloro-pyrimidin-5-yl]propionic acid ethyl ester Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CN=C(N=C1Cl)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)C1=CN=C(N=C1Cl)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN4O2/c1-3-27-19(26)15(2)17-13-22-20(23-18(17)21)25-11-9-24(10-12-25)14-16-7-5-4-6-8-16/h4-8,13,15H,3,9-12,14H2,1-2H3