7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-(3,4-diethoxybenzyl)-8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C24H32N5O6S+ MolecularWeight: 518.60578

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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)SCC(=O)N4CCOCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)SCC(=O)N4CCOCC4)OCC

InChI

InChI=1S/C24H31N5O6S/c1-5-34-17-8-7-16(13-18(17)35-6-2)14-29-20-21(26(3)24(32)27(4)22(20)31)25-23(29)36-15-19(30)28-9-11-33-12-10-28/h7-8,13H,5-6,9-12,14-15H2,1-4H3/p+1