1-cyclopropyl-8-[6-(4-phenylpyrazol-1-yl)pyridin-3-yl]-3-propyl-7H-purine-2,6-dione

Systemtic Name: 1-cyclopropyl-8-[6-(4-phenylpyrazol-1-yl)pyridin-3-yl]-3-propyl-7H-purine-2,6-dione Openeye Name: 1-cyclopropyl-8-[6-(4-phenylpyrazol-1-yl)-3-pyridyl]-3-propyl-7H-purine-2,6-dione CAS Name: 1-cyclopropyl-8-[6-(4-phenyl-1-pyrazolyl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 1-cyclopropyl-8-[6-(4-phenylpyrazol-1-yl)pyridin-3-yl]-3-propyl-7H-purine-2,6-dione Traditional Name: 1-cyclopropyl-8-[6-(4-phenylpyrazol-1-yl)-3-pyridyl]-3-propyl-7H-purine-2,6-quinone Formula: C25H23N7O2 MolecularWeight: 453.49582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N5C=C(C=N5)C6=CC=CC=C6

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N5C=C(C=N5)C6=CC=CC=C6

InChI

InChI=1S/C25H23N7O2/c1-2-12-30-23-21(24(33)32(25(30)34)19-9-10-19)28-22(29-23)17-8-11-20(26-13-17)31-15-18(14-27-31)16-6-4-3-5-7-16/h3-8,11,13-15,19H,2,9-10,12H2,1H3,(H,28,29)