8-[6-(3-methyl-5-phenyl-pyrazol-1-yl)pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[6-(3-methyl-5-phenyl-pyrazol-1-yl)pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[6-(3-methyl-5-phenyl-pyrazol-1-yl)-3-pyridyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[6-(3-methyl-5-phenyl-1-pyrazolyl)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[6-(3-methyl-5-phenylpyrazol-1-yl)pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[6-(3-methyl-5-phenyl-pyrazol-1-yl)-3-pyridyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C26H27N7O2 MolecularWeight: 469.53828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4C(=CC(=N4)C)C5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4C(=CC(=N4)C)C5=CC=CC=C5

InChI

InChI=1S/C26H27N7O2/c1-4-13-31-24-22(25(34)32(14-5-2)26(31)35)28-23(29-24)19-11-12-21(27-16-19)33-20(15-17(3)30-33)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,28,29)