N-(4-bromophenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]butanamide

Systemtic Name: N-(4-bromophenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]butanamide Openeye Name: N-(4-bromophenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]butanamide CAS Name: N-(4-bromophenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]butanamide Traditional Name: N-(4-bromophenyl)-2-[(6-keto-3,7-dihydropurin-2-yl)thio]butyramide Formula: C15H14BrN5O2S MolecularWeight: 408.27296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C15H14BrN5O2S/c1-2-10(13(22)19-9-5-3-8(16)4-6-9)24-15-20-12-11(14(23)21-15)17-7-18-12/h3-7,10H,2H2,1H3,(H,19,22)(H2,17,18,20,21,23)