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

Systemtic Name: 4-[6-chloranyl-2-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(2-dimethylaminoethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(2-dimethylaminoethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(2-dimethylaminoethylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Formula: C19H32ClN7O2S MolecularWeight: 458.02108

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN(C)C)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN(C)C)Cl

InChI

InChI=1S/C19H32ClN7O2S/c1-5-6-22-19(29)27-10-9-26(12-14(27)2)16-11-15(20)23-18(24-16)30-13-17(28)21-7-8-25(3)4/h11,14H,5-10,12-13H2,1-4H3,(H,21,28)(H,22,29)