6-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7H-purine-8-carbonitrile

Systemtic Name: 6-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7H-purine-8-carbonitrile Openeye Name: 6-amino-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-7H-purine-8-carbonitrile CAS Name: 6-amino-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7H-purine-8-carbonitrile IUPAC Name: 6-amino-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7H-purine-8-carbonitrile Traditional Name: 6-amino-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-7H-purine-8-carbonitrile Formula: C14H9BrN6OS MolecularWeight: 389.22986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=C(C(=N2)N)NC(=N3)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=C(C(=N2)N)NC(=N3)C#N)Br

InChI

InChI=1S/C14H9BrN6OS/c15-8-3-1-7(2-4-8)9(22)6-23-14-20-12(17)11-13(21-14)19-10(5-16)18-11/h1-4H,6H2,(H3,17,18,19,20,21)