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

Systemtic Name: ethyl 2-[4-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)-4-chloro-pyrimidin-5-yl]acetate CAS Name: 2-[4-chloro-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)-4-chloropyrimidin-5-yl]acetate Traditional Name: 2-[2-(4-benzylpiperazino)-4-chloro-pyrimidin-5-yl]acetic acid ethyl ester Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN=C(N=C1Cl)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CN=C(N=C1Cl)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23ClN4O2/c1-2-26-17(25)12-16-13-21-19(22-18(16)20)24-10-8-23(9-11-24)14-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3