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

Systemtic Name: 9-(3,4-dimethylphenyl)-3-(2-ethoxyethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(3,4-dimethylphenyl)-3-(2-ethoxyethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(3,4-dimethylphenyl)-3-(2-ethoxyethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(3,4-dimethylphenyl)-3-(2-ethoxyethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 9-(3,4-dimethylphenyl)-3-(2-ethoxyethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC(=C(C=C4)C)C)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC(=C(C=C4)C)C)N(C1=O)C

InChI

InChI=1S/C21H27N5O3/c1-5-29-12-11-26-19(27)17-18(23(4)21(26)28)22-20-24(9-6-10-25(17)20)16-8-7-14(2)15(3)13-16/h7-8,13H,5-6,9-12H2,1-4H3/p+1