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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C25H30N8O2S MolecularWeight: 506.6231

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=N1)N5CCCCC5

InChI

InChI=1S/C25H30N8O2S/c1-2-36-25-29-22(31-12-6-3-7-13-31)19-16-28-33(23(19)30-25)15-11-26-21(34)10-14-32-17-27-20-9-5-4-8-18(20)24(32)35/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3,(H,26,34)