2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(2-methylindolin-1-yl)ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(2-methylindolin-1-yl)ethanone Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C16H16N6OS/c1-9-6-10-4-2-3-5-11(10)22(9)12(23)7-24-16-20-13-14(17)18-8-19-15(13)21-16/h2-5,8-9H,6-7H2,1H3,(H3,17,18,19,20,21)