2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1-methyl-2-phenyl-indol-3-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1-methyl-2-phenyl-indol-3-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1-methyl-2-phenyl-indol-3-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(1-methyl-2-phenyl-3-indolyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1-methyl-2-phenylindol-3-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C21H19N5OS/c1-26-15-10-6-5-9-14(15)19(20(26)13-7-3-2-4-8-13)16(27)12-28-21-24-17(22)11-18(23)25-21/h2-11H,12H2,1H3,(H4,22,23,24,25)