N-tert-butyl-4-[6-chloranyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-(3-morpholinopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-chloro-2-[[2-keto-2-(3-morpholinopropylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C23H38ClN7O3S MolecularWeight: 528.11092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCOCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCOCC3)Cl

InChI

InChI=1S/C23H38ClN7O3S/c1-17-15-30(8-9-31(17)22(33)28-23(2,3)4)19-14-18(24)26-21(27-19)35-16-20(32)25-6-5-7-29-10-12-34-13-11-29/h14,17H,5-13,15-16H2,1-4H3,(H,25,32)(H,28,33)