4-[6-chloranyl-2-[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(3,3-diphenylpropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(3,3-diphenylpropylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(3,3-diphenylpropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(3,3-diphenylpropylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C29H35ClN6O2S MolecularWeight: 567.1452

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H35ClN6O2S/c1-2-14-32-29(38)36-18-16-35(17-19-36)26-20-25(30)33-28(34-26)39-21-27(37)31-15-13-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,20,24H,2,13-19,21H2,1H3,(H,31,37)(H,32,38)