7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-9H-purine-2,6-dione

Systemtic Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-9H-purine-2,6-dione Openeye Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-9H-purine-2,6-dione CAS Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-morpholin-4-iumylidene)-9H-purine-2,6-dione IUPAC Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-9H-purine-2,6-dione Traditional Name: 7-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-9H-purine-2,6-quinone Formula: C21H26N5O6+ MolecularWeight: 444.46104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=[N+]3CCOCC3)N2)CC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=[N+]3CCOCC3)N2)CC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H25N5O6/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-7-9-32-10-8-25)12-14(27)13-5-6-15(30-3)16(11-13)31-4/h5-6,11H,7-10,12H2,1-4H3/p+1