1-(2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylsulfanyl)propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylsulfanyl)propan-1-one Openeye Name: 1-indolin-1-yl-2-(7H-purin-6-ylsulfanyl)propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylthio)-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-(7H-purin-6-ylsulfanyl)propan-1-one Traditional Name: 1-indolin-1-yl-2-(7H-purin-6-ylthio)propan-1-one Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC=NC4=C3NC=N4

InChI

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