2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-anisoyl-piperazino)pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C23H31ClN6O3S MolecularWeight: 507.04864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN(C)C)Cl

InChI

InChI=1S/C23H31ClN6O3S/c1-16-14-29(11-12-30(16)22(32)17-5-7-18(33-4)8-6-17)20-13-19(24)26-23(27-20)34-15-21(31)25-9-10-28(2)3/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,25,31)