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

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-(2-methylallyl)xanthine Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CCC4=CC=CC=C4C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CCC4=CC=CC=C4C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H21N5O2/c1-12(2)10-24-15-16(22(3)19(26)21-17(15)25)20-18(24)23-9-8-13-6-4-5-7-14(13)11-23/h4-7H,1,8-11H2,2-3H3,(H,21,25,26)