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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C25H34ClN7O2S MolecularWeight: 532.10116

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H34ClN7O2S/c1-2-8-27-25(35)33-15-13-31(14-16-33)22-17-21(26)28-24(29-22)36-19-23(34)32-11-9-30(10-12-32)18-20-6-4-3-5-7-20/h3-7,17H,2,8-16,18-19H2,1H3,(H,27,35)