ethyl 2-[4-chloranyl-6-methyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[4-chloranyl-6-methyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)-4-chloro-6-methyl-pyrimidin-5-yl]acetate CAS Name: 2-[4-chloro-6-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)-4-chloro-6-methylpyrimidin-5-yl]acetate Traditional Name: 2-[2-(4-benzylpiperazino)-4-chloro-6-methyl-pyrimidin-5-yl]acetic acid ethyl ester Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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