2-[2-methyl-1-(1-methyl-4-oxidanylidene-5-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-6-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-methyl-1-(1-methyl-4-oxidanylidene-5-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-6-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[2-methyl-1-(1-methyl-4-oxo-5-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-6-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[2-methyl-1-(1-methyl-4-oxo-5-prop-2-ynyl-6-pyrazolo[3,4-d]pyrimidinyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[2-methyl-1-(1-methyl-4-oxo-5-prop-2-ynylpyrazolo[3,4-d]pyrimidin-6-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[1-(4-keto-1-methyl-5-propargyl-pyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-propyl]isoindoline-1,3-quinone Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC2=C(C=NN2C)C(=O)N1CC#C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C(C1=NC2=C(C=NN2C)C(=O)N1CC#C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N5O3/c1-5-10-25-18(23-17-15(19(25)27)11-22-24(17)4)16(12(2)3)26-20(28)13-8-6-7-9-14(13)21(26)29/h1,6-9,11-12,16H,10H2,2-4H3