5-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]thiophene-2-carbonitrile

Systemtic Name: 5-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]thiophene-2-carbonitrile Openeye Name: 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]thiophene-2-carbonitrile CAS Name: 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]-2-thiophenecarbonitrile IUPAC Name: 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]thiophene-2-carbonitrile Traditional Name: 5-[(2-amino-6-keto-3,7-dihydropurin-8-yl)methyl]thiophene-2-carbonitrile Formula: C11H8N6OS MolecularWeight: 272.28582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C#N)CC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=C(SC(=C1)C#N)CC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C11H8N6OS/c12-4-6-2-1-5(19-6)3-7-14-8-9(15-7)16-11(13)17-10(8)18/h1-2H,3H2,(H4,13,14,15,16,17,18)