3-ethyl-8-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-8-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-ethyl-8-[1-[(5-phenylisoxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-ethyl-8-[1-[(5-phenyl-3-isoxazolyl)methyl]-4-pyrazolyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-ethyl-8-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-ethyl-8-[1-[(5-phenylisoxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-quinone Formula: C23H23N7O3 MolecularWeight: 445.47382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=NOC(=C4)C5=CC=CC=C5)N(C1=O)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=NOC(=C4)C5=CC=CC=C5)N(C1=O)CC

InChI

InChI=1S/C23H23N7O3/c1-3-10-30-22(31)19-21(29(4-2)23(30)32)26-20(25-19)16-12-24-28(13-16)14-17-11-18(33-27-17)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,25,26)