2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[(4-morpholinosulfonylphenyl)methyl]acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(4-morpholinosulfonylbenzyl)acetamide Formula: C19H22N6O4S2 MolecularWeight: 462.54578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H22N6O4S2/c1-24-18-16(11-23-24)19(22-13-21-18)30-12-17(26)20-10-14-2-4-15(5-3-14)31(27,28)25-6-8-29-9-7-25/h2-5,11,13H,6-10,12H2,1H3,(H,20,26)