8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(2-methylprop-2-enyl)-5H-purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(2-methylprop-2-enyl)-5H-purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(2-methylallyl)-5H-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(2-methylprop-2-enyl)-5H-purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(2-methylprop-2-enyl)-5H-purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(2-methylallyl)-5H-purine-2,6-quinone Formula: C19H22N5O2+ MolecularWeight: 352.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC(=C)CN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC4=CC=CC=C4C3)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/h4-7,15H,1,8-11H2,2-3H3/p+1