N-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(4-pyridylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-keto-2-(4-pyridylmethylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C22H30ClN7O2S MolecularWeight: 492.0373

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C22H30ClN7O2S/c1-3-4-7-25-22(32)30-11-10-29(14-16(30)2)19-12-18(23)27-21(28-19)33-15-20(31)26-13-17-5-8-24-9-6-17/h5-6,8-9,12,16H,3-4,7,10-11,13-15H2,1-2H3,(H,25,32)(H,26,31)