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

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-[(3-methylphenyl)methyl]-5H-purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(m-tolylmethyl)-5H-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-[(3-methylphenyl)methyl]-5H-purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-[(3-methylphenyl)methyl]-5H-purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-3-methyl-7-(3-methylbenzyl)-5H-purine-2,6-quinone Formula: C23H24N5O2+ MolecularWeight: 402.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3C(=O)NC(=O)N(C3=NC2=[N+]4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3C(=O)NC(=O)N(C3=NC2=[N+]4CCC5=CC=CC=C5C4)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/h3-9,12,19H,10-11,13-14H2,1-2H3/p+1