7-ethyl-1,3-dimethyl-8-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-ethyl-8-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,3-dimethyl-xanthine Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H21N5O3S2/c1-4-27-19-20(25(2)23(31)26(3)21(19)30)24-22(27)32-13-18(29)28-14-9-5-7-11-16(14)33-17-12-8-6-10-15(17)28/h5-12H,4,13H2,1-3H3