4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Openeye Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide Formula: C22H31ClN6OS MolecularWeight: 463.03914

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCN(C)C)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCN(C)C)Cl

InChI

InChI=1S/C22H31ClN6OS/c1-4-28-11-13-29(14-12-28)20-15-19(23)25-22(26-20)31-16-17-5-7-18(8-6-17)21(30)24-9-10-27(2)3/h5-8,15H,4,9-14,16H2,1-3H3,(H,24,30)