6-ethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]coumarin Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C)O

InChI

InChI=1S/C22H24N6O3/c1-3-14-8-16-15(9-20(30)31-19(16)10-18(14)29)12-27-4-6-28(7-5-27)22-17-11-25-26(2)21(17)23-13-24-22/h8-11,13,29H,3-7,12H2,1-2H3