8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=CC=C1CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N5O2/c1-17-8-4-5-10-19(17)15-30-21(16-29-13-12-18-9-6-7-11-20(18)14-29)26-23-22(30)24(31)28(3)25(32)27(23)2/h4-11H,12-16H2,1-3H3