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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-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-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propionamide Formula: C23H26N8O2S MolecularWeight: 478.56994

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=N1)N5CCCC5

InChI

InChI=1S/C23H26N8O2S/c1-34-23-27-20(29-10-4-5-11-29)17-14-26-31(21(17)28-23)13-9-24-19(32)8-12-30-15-25-18-7-3-2-6-16(18)22(30)33/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,24,32)