8-[1-[(3,4-dimethoxypyridin-2-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-[(3,4-dimethoxypyridin-2-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(3,4-dimethoxy-2-pyridyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(3,4-dimethoxypyridin-2-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[(3,4-dimethoxy-2-pyridyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=NC=CC(=C4OC)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=NC=CC(=C4OC)OC

InChI

InChI=1S/C22H27N7O4/c1-5-9-28-20-17(21(30)29(10-6-2)22(28)31)25-19(26-20)14-11-24-27(12-14)13-15-18(33-4)16(32-3)7-8-23-15/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,25,26)