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

Systemtic Name: 3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-(m-tolyl)-1-(tetrahydrofuran-2-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-(3-methylphenyl)-1-(2-oxolanylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-(m-tolyl)-1-(tetrahydrofurfuryl)-7H-purine-2,6-quinone Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-11-4-2-5-12(8-11)21-15-14(18-10-19-15)16(22)20(17(21)23)9-13-6-3-7-24-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,18,19)