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

Systemtic Name: 7-methyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]coumarin Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C21H22N6O2/c1-14-3-4-16-15(10-19(28)29-18(16)9-14)12-26-5-7-27(8-6-26)21-17-11-24-25(2)20(17)22-13-23-21/h3-4,9-11,13H,5-8,12H2,1-2H3