4-[6-chloranyl-2-[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(1,2-diphenylethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(1,2-diphenylethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(1,2-diphenylethylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C29H35ClN6O2S MolecularWeight: 567.1452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H35ClN6O2S/c1-20(2)31-29(38)36-15-14-35(18-21(36)3)26-17-25(30)33-28(34-26)39-19-27(37)32-24(23-12-8-5-9-13-23)16-22-10-6-4-7-11-22/h4-13,17,20-21,24H,14-16,18-19H2,1-3H3,(H,31,38)(H,32,37)