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

Systemtic Name: 9-(4-ethoxyphenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(4-ethoxyphenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(4-ethoxyphenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(4-ethoxyphenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-amyl-1-methyl-9-p-phenetyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OCC)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OCC)N(C1=O)C

InChI

InChI=1S/C22H29N5O3/c1-4-6-7-13-27-20(28)18-19(24(3)22(27)29)23-21-25(14-8-15-26(18)21)16-9-11-17(12-10-16)30-5-2/h9-12H,4-8,13-15H2,1-3H3/p+1