2-[(6-azanyl-7H-purin-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[(6-amino-7H-purin-2-yl)sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(6-amino-7H-purin-2-yl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(6-amino-7H-purin-2-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C11H10N8OS MolecularWeight: 302.3151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N8OS/c12-8-7-9(16-5-15-7)19-11(18-8)21-4-6(20)17-10-13-2-1-3-14-10/h1-3,5H,4H2,(H,13,14,17,20)(H3,12,15,16,18,19)