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

Systemtic Name: 8-[1-[4-(3-fluorophenyl)but-3-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[4-(3-fluorophenyl)but-3-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[4-(3-fluorophenyl)but-3-ynyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[4-(3-fluorophenyl)but-3-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[4-(3-fluorophenyl)but-3-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C24H25FN6O2 MolecularWeight: 448.492703

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCC#CC4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCC#CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H25FN6O2/c1-3-11-30-22-20(23(32)31(12-4-2)24(30)33)27-21(28-22)18-15-26-29(16-18)13-6-5-8-17-9-7-10-19(25)14-17/h7,9-10,14-16H,3-4,6,11-13H2,1-2H3,(H,27,28)