8-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4-pyrazolyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-xanthine Formula: C20H18N8O3 MolecularWeight: 418.40872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=NOC(=N4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=NOC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30)