7-[(3,4-diethoxyphenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[(3,4-diethoxyphenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[(3,4-diethoxyphenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[(3,4-diethoxyphenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[(3,4-diethoxyphenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-(3,4-diethoxybenzyl)-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C19H25N4O5+ MolecularWeight: 389.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)OC)OCC

InChI

InChI=1S/C19H24N4O5/c1-6-27-13-9-8-12(10-14(13)28-7-2)11-23-15-16(20-18(23)26-5)21(3)19(25)22(4)17(15)24/h8-10H,6-7,11H2,1-5H3/p+1