1-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethoxy]phenyl]ethanone

Systemtic Name: 1-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethoxy]phenyl]ethanone Openeye Name: 1-[4-[2-[(6-amino-7H-purin-8-yl)sulfanyl]ethoxy]phenyl]ethanone CAS Name: 1-[4-[2-[(6-amino-7H-purin-8-yl)thio]ethoxy]phenyl]ethanone IUPAC Name: 1-[4-[2-[(6-amino-7H-purin-8-yl)sulfanyl]ethoxy]phenyl]ethanone Traditional Name: 1-[4-[2-[(6-amino-7H-purin-8-yl)thio]ethoxy]phenyl]ethanone Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C15H15N5O2S/c1-9(21)10-2-4-11(5-3-10)22-6-7-23-15-19-12-13(16)17-8-18-14(12)20-15/h2-5,8H,6-7H2,1H3,(H3,16,17,18,19,20)