1-(3,4-dimethylphenyl)-5-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,4-dimethylphenyl)-5-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-5-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-5-prop-2-ynyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(3,4-dimethylphenyl)-5-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-5-propargyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC#C)C

InChI

InChI=1S/C16H14N4O/c1-4-7-19-10-17-15-14(16(19)21)9-18-20(15)13-6-5-11(2)12(3)8-13/h1,5-6,8-10H,7H2,2-3H3