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

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H23N5O2/c1-15-6-5-7-16(12-15)13-28-19-20(26(2)23(30)25-21(19)29)24-22(28)27-11-10-17-8-3-4-9-18(17)14-27/h3-9,12H,10-11,13-14H2,1-2H3,(H,25,29,30)