1,3-dimethyl-9-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(2-oxo-2-phenothiazin-10-yl-ethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-9-[2-oxo-2-(10-phenothiazinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-(2-oxo-2-phenothiazin-10-ylethyl)purine-2,6-dione Traditional Name: 9-(2-keto-2-phenothiazin-10-yl-ethyl)-1,3-dimethyl-xanthine Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C21H17N5O3S/c1-23-19-18(20(28)24(2)21(23)29)22-12-25(19)11-17(27)26-13-7-3-5-9-15(13)30-16-10-6-4-8-14(16)26/h3-10,12H,11H2,1-2H3