3-(2,6-dimethylphenyl)-1-(oxolan-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(oxolan-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-(2,6-dimethylphenyl)-1-(tetrahydrofuran-2-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-(2,6-dimethylphenyl)-1-(2-oxolanylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-(2,6-dimethylphenyl)-1-(oxolan-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-(2,6-dimethylphenyl)-1-(tetrahydrofurfuryl)-7H-purine-2,6-quinone Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C2=O)CC4CCCO4)NC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C2=O)CC4CCCO4)NC=N3

InChI

InChI=1S/C18H20N4O3/c1-11-5-3-6-12(2)15(11)22-16-14(19-10-20-16)17(23)21(18(22)24)9-13-7-4-8-25-13/h3,5-6,10,13H,4,7-9H2,1-2H3,(H,19,20)