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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O2S/c1-22-9-4-2-8(3-5-9)18-10(21)6-23-14-19-11-12(15)16-7-17-13(11)20-14/h2-5,7H,6H2,1H3,(H,18,21)(H3,15,16,17,19,20)