5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-5-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-1,3-dimethyl-6-prop-2-enyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1,3-dimethyl-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-1,3-dimethyl-5-(4-piperonyloylpiperazino)pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H24N6O4/c1-4-7-28-21(30)19-18(14(2)24-25(19)3)23-22(28)27-10-8-26(9-11-27)20(29)15-5-6-16-17(12-15)32-13-31-16/h4-6,12H,1,7-11,13H2,2-3H3