1,3-dimethyl-8-[methyl(oxolan-2-yl)amino]-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[methyl(oxolan-2-yl)amino]-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[methyl(tetrahydrofuran-2-yl)amino]-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[methyl(2-oxolanyl)amino]-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[methyl(oxolan-2-yl)amino]-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-[methyl(tetrahydrofuryl)amino]xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N(C)C4CCCO4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N(C)C4CCCO4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H25N5O3/c1-13-7-5-8-14(11-13)12-25-16-17(23(3)20(27)24(4)18(16)26)21-19(25)22(2)15-9-6-10-28-15/h5,7-8,11,15H,6,9-10,12H2,1-4H3