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

Systemtic Name: 1-(4-methylphenyl)-5-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-prop-2-ynyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-5-prop-2-ynyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(4-methylphenyl)-5-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-propargyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H12N4O MolecularWeight: 264.28198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O/c1-3-8-18-10-16-14-13(15(18)20)9-17-19(14)12-6-4-11(2)5-7-12/h1,4-7,9-10H,8H2,2H3