N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazine-2-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazine-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazine-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazinamide Formula: C18H22N8O2S MolecularWeight: 414.48468

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC=CN=C3)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC=CN=C3)C(=N1)N4CCOCC4

InChI

InChI=1S/C18H22N8O2S/c1-2-29-18-23-15(25-7-9-28-10-8-25)13-11-22-26(16(13)24-18)6-5-21-17(27)14-12-19-3-4-20-14/h3-4,11-12H,2,5-10H2,1H3,(H,21,27)