6-methyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-methyl-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C26H21N3O2S2 MolecularWeight: 471.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S2/c1-17-19(15-18-9-3-2-4-10-18)25(31)28-26(27-17)32-16-24(30)29-20-11-5-7-13-22(20)33-23-14-8-6-12-21(23)29/h2-14H,15-16H2,1H3,(H,27,28,31)