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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)SC

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)SC

InChI

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