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

Systemtic Name: 8-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[1-[(5-phenylisoxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-[(5-phenyl-3-isoxazolyl)methyl]-4-pyrazolyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[1-[(5-phenylisoxazol-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-xanthine Formula: C21H19N7O3 MolecularWeight: 417.42066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=NOC(=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=NOC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N7O3/c1-2-8-28-20(29)17-19(25-21(28)30)24-18(23-17)14-10-22-27(11-14)12-15-9-16(31-26-15)13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,24)(H,25,30)