2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]ethanone Formula: C23H31ClN6O2S MolecularWeight: 491.04924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N(CCN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N(CCN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H31ClN6O2S/c1-18(31)28-11-13-29(14-12-28)22(32)17-33-23-25-20(24)15-21(26-23)30(10-9-27(2)3)16-19-7-5-4-6-8-19/h4-8,15H,9-14,16-17H2,1-3H3