1-(2-methyl-2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(2-methylindolin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(2-methylindolin-1-yl)-2-(7H-purin-6-ylthio)ethanone Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H15N5OS/c1-10-6-11-4-2-3-5-12(11)21(10)13(22)7-23-16-14-15(18-8-17-14)19-9-20-16/h2-5,8-10H,6-7H2,1H3,(H,17,18,19,20)