4-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]methyl]benzonitrile Formula: C13H10N6OS MolecularWeight: 298.3231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(N2)C(=O)N=C(N3)N)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(N2)C(=O)N=C(N3)N)C#N

InChI

InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)