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

Systemtic Name: 9-(4-ethylphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(4-ethylphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(4-ethylphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(4-ethylphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 9-(4-ethylphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C23H32N5O2+ MolecularWeight: 410.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)CC)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)CC)N(C1=O)C

InChI

InChI=1S/C23H31N5O2/c1-4-6-7-8-14-28-21(29)19-20(25(3)23(28)30)24-22-26(15-9-16-27(19)22)18-12-10-17(5-2)11-13-18/h10-13H,4-9,14-16H2,1-3H3/p+1