7,8-dimethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]coumarin Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C)C

InChI

InChI=1S/C22H24N6O2/c1-14-4-5-17-16(10-19(29)30-20(17)15(14)2)12-27-6-8-28(9-7-27)22-18-11-25-26(3)21(18)23-13-24-22/h4-5,10-11,13H,6-9,12H2,1-3H3