2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C15H16N6O3S MolecularWeight: 360.39094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O3S/c1-23-8-3-4-10(24-2)9(5-8)19-11(22)6-25-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)