3-ethyl-8-[1-[(6-methylpyridin-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-8-[1-[(6-methylpyridin-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-ethyl-8-[1-[(6-methyl-3-pyridyl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-ethyl-8-[1-[(6-methyl-3-pyridinyl)methyl]-4-pyrazolyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-ethyl-8-[1-[(6-methylpyridin-3-yl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-ethyl-8-[1-[(6-methyl-3-pyridyl)methyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-quinone Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CN=C(C=C4)C)N(C1=O)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CN=C(C=C4)C)N(C1=O)CC

InChI

InChI=1S/C20H23N7O2/c1-4-8-27-19(28)16-18(26(5-2)20(27)29)24-17(23-16)15-10-22-25(12-15)11-14-7-6-13(3)21-9-14/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,23,24)