8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H25N5O2/c1-29-24-23(25(33)30(2)27(29)34)32(17-21-12-7-11-19-9-5-6-13-22(19)21)26(28-24)31-15-14-18-8-3-4-10-20(18)16-31/h3-13H,14-17H2,1-2H3