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

Systemtic Name: 9-(4-ethoxyphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(4-ethoxyphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(4-ethoxyphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(4-ethoxyphenyl)-3-hexyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-hexyl-1-methyl-9-p-phenetyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/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)17-10-12-18(13-11-17)31-5-2/h10-13H,4-9,14-16H2,1-3H3/p+1