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

Systemtic Name: 3-ethyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-ethyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 3-ethyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 3-ethyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-ethyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C23H24N5O3+ MolecularWeight: 418.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C23H23N5O3/c1-3-26-21(29)19-20(25(2)23(26)30)24-22-27(14-7-15-28(19)22)16-10-12-18(13-11-16)31-17-8-5-4-6-9-17/h4-6,8-13H,3,7,14-15H2,1-2H3/p+1