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

Systemtic Name: 8-methoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 8-methoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-chromene-3-carboxamide CAS Name: 8-methoxy-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 8-methoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide Traditional Name: 2-keto-8-methoxy-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]chromene-3-carboxamide Formula: C22H24N6O5S MolecularWeight: 484.52816

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)SC

InChI

InChI=1S/C22H24N6O5S/c1-31-10-8-23-18-15-12-25-28(19(15)27-22(26-18)34-3)9-7-24-20(29)14-11-13-5-4-6-16(32-2)17(13)33-21(14)30/h4-6,11-12H,7-10H2,1-3H3,(H,24,29)(H,23,26,27)