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

Systemtic Name: 3-butyl-1-methyl-9-(4-methylphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-butyl-1-methyl-9-(p-tolyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 3-butyl-1-methyl-9-(4-methylphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 3-butyl-1-methyl-9-(4-methylphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-butyl-1-methyl-9-(p-tolyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C20H26N5O2+ MolecularWeight: 368.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)C)N(C1=O)C

InChI

InChI=1S/C20H25N5O2/c1-4-5-11-25-18(26)16-17(22(3)20(25)27)21-19-23(12-6-13-24(16)19)15-9-7-14(2)8-10-15/h7-10H,4-6,11-13H2,1-3H3/p+1