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

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(o-tolylmethyl)-8-(tetrahydrofuran-2-ylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(2-oxolanylmethylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(oxolan-2-ylmethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylbenzyl)-8-(tetrahydrofurfurylamino)xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NCC4CCCO4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NCC4CCCO4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H25N5O3/c1-13-7-4-5-8-14(13)12-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)21-11-15-9-6-10-28-15/h4-5,7-8,15H,6,9-12H2,1-3H3,(H,21,22)