N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[4-[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[4-[2-[(6-amino-7H-purin-8-yl)thio]acetyl]phenyl]acetamide Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C15H14N6O2S/c1-8(22)19-10-4-2-9(3-5-10)11(23)6-24-15-20-12-13(16)17-7-18-14(12)21-15/h2-5,7H,6H2,1H3,(H,19,22)(H3,16,17,18,20,21)