8-[1-[3-(3-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-[3-(3-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[1-[3-(3-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[1-[3-(3-fluorophenyl)prop-2-ynyl]-4-pyrazolyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[3-(3-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[1-[3-(3-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C19H15FN6O2 MolecularWeight: 378.359803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CN(N=C3)CC#CC4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CN(N=C3)CC#CC4=CC(=CC=C4)F

InChI

InChI=1S/C19H15FN6O2/c1-24-17-15(18(27)25(2)19(24)28)22-16(23-17)13-10-21-26(11-13)8-4-6-12-5-3-7-14(20)9-12/h3,5,7,9-11H,8H2,1-2H3,(H,22,23)