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

Systemtic Name: 2-[(6-azanyl-7H-purin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(6-amino-7H-purin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(6-amino-7H-purin-2-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(6-amino-7H-purin-2-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=N2)N)NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=N2)N)NC=N3

InChI

InChI=1S/C14H13N5O2S/c1-21-9-4-2-8(3-5-9)10(20)6-22-14-18-12(15)11-13(19-14)17-7-16-11/h2-5,7H,6H2,1H3,(H3,15,16,17,18,19)