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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-methoxy-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C19H26N8O3S MolecularWeight: 446.52654

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CN(N=C3OC)C)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CN(N=C3OC)C)C(=N1)N4CCOCC4

InChI

InChI=1S/C19H26N8O3S/c1-4-31-19-22-15(26-7-9-30-10-8-26)13-11-21-27(16(13)23-19)6-5-20-17(28)14-12-25(2)24-18(14)29-3/h11-12H,4-10H2,1-3H3,(H,20,28)