2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2-chloranylphenothiazin-10-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2-chloranylphenothiazin-10-yl)ethanone Openeye Name: 1-(2-chlorophenothiazin-10-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(2-chlorophenothiazin-10-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C18H14ClN5OS2 MolecularWeight: 415.91966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C18H14ClN5OS2/c19-10-5-6-14-12(7-10)24(11-3-1-2-4-13(11)27-14)17(25)9-26-18-22-15(20)8-16(21)23-18/h1-8H,9H2,(H4,20,21,22,23)