1-methyl-3-(2-methylpropyl)-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-isobutyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 1-methyl-3-(2-methylpropyl)-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-isobutyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C19H24N5O2+ MolecularWeight: 354.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C19H23N5O2/c1-13(2)12-24-17(25)15-16(21(3)19(24)26)20-18-22(10-7-11-23(15)18)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3/p+1