N-[(E)-furan-2-ylmethylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(E)-furan-2-ylmethylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[(E)-2-furylmethyleneamino]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[(E)-2-furanylmethylideneamino]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[(E)-furan-2-ylmethylideneamino]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[(E)-2-furfurylideneamino]-2-(7H-purin-6-ylthio)acetamide Formula: C12H10N6O2S MolecularWeight: 302.3118

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=NNC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=COC(=C1)/C=N/NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H10N6O2S/c19-9(18-17-4-8-2-1-3-20-8)5-21-12-10-11(14-6-13-10)15-7-16-12/h1-4,6-7H,5H2,(H,18,19)(H,13,14,15,16)/b17-4+