6-azanyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1-phenethyl-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1-phenethyl-pyrimidin-4-one Openeye Name: 6-amino-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1-phenethyl-pyrimidin-4-one CAS Name: 6-amino-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1-phenethyl-4-pyrimidinone IUPAC Name: 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenethylpyrimidin-4-one Traditional Name: 6-amino-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1-phenethyl-pyrimidin-4-one Formula: C26H22N4O2S2 MolecularWeight: 486.60848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N

InChI

InChI=1S/C26H22N4O2S2/c27-23-16-24(31)28-26(29(23)15-14-18-8-2-1-3-9-18)33-17-25(32)30-19-10-4-6-12-21(19)34-22-13-7-5-11-20(22)30/h1-13,16H,14-15,17,27H2