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

Systemtic Name: 3-ethyl-9-(2-methoxy-5-methyl-phenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-ethyl-9-(2-methoxy-5-methyl-phenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 3-ethyl-9-(2-methoxy-5-methylphenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 3-ethyl-9-(2-methoxy-5-methylphenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-ethyl-9-(2-methoxy-5-methyl-phenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3/c1-5-22-17(25)15-16(21(3)19(22)26)20-18-23(9-6-10-24(15)18)13-11-12(2)7-8-14(13)27-4/h7-8,11H,5-6,9-10H2,1-4H3/p+1