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

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-isoamyl-3-methyl-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCC4=CC=CC=C4C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCC4=CC=CC=C4C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25N5O2/c1-13(2)8-11-25-16-17(23(3)20(27)22-18(16)26)21-19(25)24-10-9-14-6-4-5-7-15(14)12-24/h4-7,13H,8-12H2,1-3H3,(H,22,26,27)