N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propionamide Formula: C24H28N8O2S MolecularWeight: 492.59652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=N1)N5CCCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=N1)N5CCCCC5

InChI

InChI=1S/C24H28N8O2S/c1-35-24-28-21(30-11-5-2-6-12-30)18-15-27-32(22(18)29-24)14-10-25-20(33)9-13-31-16-26-19-8-4-3-7-17(19)23(31)34/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,25,33)