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

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-7-propylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,3-dimethyl-7-propyl-xanthine Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H23N5O3S2/c1-4-13-28-20-21(26(2)24(32)27(3)22(20)31)25-23(28)33-14-19(30)29-15-9-5-7-11-17(15)34-18-12-8-6-10-16(18)29/h5-12H,4,13-14H2,1-3H3