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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2-furfuryl)acetamide Formula: C12H12N6O2S MolecularWeight: 304.32768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O2S/c13-10-9-11(16-6-15-10)18-12(17-9)21-5-8(19)14-4-7-2-1-3-20-7/h1-3,6H,4-5H2,(H,14,19)(H3,13,15,16,17,18)