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

Systemtic Name: 1,3,7-trimethyl-8-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,3,7-trimethyl-xanthine Formula: C22H19N5O3S2 MolecularWeight: 465.54796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H19N5O3S2/c1-24-18-19(25(2)22(30)26(3)20(18)29)23-21(24)31-12-17(28)27-13-8-4-6-10-15(13)32-16-11-7-5-9-14(16)27/h4-11H,12H2,1-3H3