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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C24H33ClN6O2S MolecularWeight: 505.07582

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H33ClN6O2S/c1-3-11-26-24(33)31-14-12-30(13-15-31)21-16-20(25)28-23(29-21)34-17-22(32)27-18(2)9-10-19-7-5-4-6-8-19/h4-8,16,18H,3,9-15,17H2,1-2H3,(H,26,33)(H,27,32)