N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-8-methoxy-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-8-methoxy-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-8-methoxy-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-keto-8-methoxy-chromene-3-carboxamide Formula: C25H28N6O4S MolecularWeight: 508.59262

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)C(=N1)N5CCCCC5

InChI

InChI=1S/C25H28N6O4S/c1-3-36-25-28-21(30-11-5-4-6-12-30)18-15-27-31(22(18)29-25)13-10-26-23(32)17-14-16-8-7-9-19(34-2)20(16)35-24(17)33/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,26,32)