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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)SC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)SC4=NC(=CC(=N4)N)N

InChI

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