2-(3,5-dimethylpyrazol-1-yl)-7-methyl-3-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-9H-purine-6,8-dione

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-7-methyl-3-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-9H-purine-6,8-dione Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-3-[2-hydroxy-3-(2-methylphenoxy)propyl]-7-methyl-9H-purine-6,8-dione CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-3-[2-hydroxy-3-(2-methylphenoxy)propyl]-7-methyl-9H-purine-6,8-dione IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-3-[2-hydroxy-3-(2-methylphenoxy)propyl]-7-methyl-9H-purine-6,8-dione Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-3-[2-hydroxy-3-(2-methylphenoxy)propyl]-7-methyl-9H-purine-6,8-quinone Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(C(=O)N=C2N4C(=CC(=N4)C)C)N(C(=O)N3)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(C(=O)N=C2N4C(=CC(=N4)C)C)N(C(=O)N3)C)O

InChI

InChI=1S/C21H24N6O4/c1-12-7-5-6-8-16(12)31-11-15(28)10-26-18-17(25(4)21(30)22-18)19(29)23-20(26)27-14(3)9-13(2)24-27/h5-9,15,28H,10-11H2,1-4H3,(H,22,30)