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

Systemtic Name: 7-methoxy-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]coumarin Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C21H22N6O3/c1-25-20-17(11-24-25)21(23-13-22-20)27-7-5-26(6-8-27)12-14-9-19(28)30-18-10-15(29-2)3-4-16(14)18/h3-4,9-11,13H,5-8,12H2,1-2H3