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

Systemtic Name: 8-methoxy-N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 8-methoxy-N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-chromene-3-carboxamide CAS Name: 8-methoxy-N-[2-[6-(methylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 8-methoxy-N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide Traditional Name: 2-keto-8-methoxy-N-[2-[6-(methylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]chromene-3-carboxamide Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)SC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)SC

InChI

InChI=1S/C22H24N6O4S/c1-4-8-23-18-15-12-25-28(19(15)27-22(26-18)33-3)10-9-24-20(29)14-11-13-6-5-7-16(31-2)17(13)32-21(14)30/h5-7,11-12H,4,8-10H2,1-3H3,(H,24,29)(H,23,26,27)