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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2-phenyl-1H-indol-3-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2-phenyl-1H-indol-3-yl)ethanone Formula: C20H17N5OS MolecularWeight: 375.44688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C20H17N5OS/c21-16-10-17(22)25-20(24-16)27-11-15(26)18-13-8-4-5-9-14(13)23-19(18)12-6-2-1-3-7-12/h1-10,23H,11H2,(H4,21,22,24,25)