4-[6-chloranyl-2-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(2-dimethylaminoethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-N-(4-methoxyphenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(2-dimethylaminoethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(2-dimethylaminoethylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Formula: C23H32ClN7O3S MolecularWeight: 522.06328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN(C)C)Cl

InChI

InChI=1S/C23H32ClN7O3S/c1-16-14-30(11-12-31(16)23(33)26-17-5-7-18(34-4)8-6-17)20-13-19(24)27-22(28-20)35-15-21(32)25-9-10-29(2)3/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,25,32)(H,26,33)