2-hexyl-8-oxidanylidene-9-thiophen-2-yl-7H-purine-6-carboxamide

Systemtic Name: 2-hexyl-8-oxidanylidene-9-thiophen-2-yl-7H-purine-6-carboxamide Openeye Name: 2-hexyl-8-oxo-9-(2-thienyl)-7H-purine-6-carboxamide CAS Name: 2-hexyl-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide IUPAC Name: 2-hexyl-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide Traditional Name: 2-hexyl-8-keto-9-(2-thienyl)-7H-purine-6-carboxamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CS3)C(=O)N

Isomeric SMILES

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CS3)C(=O)N

InChI

InChI=1S/C16H19N5O2S/c1-2-3-4-5-7-10-18-12(14(17)22)13-15(19-10)21(16(23)20-13)11-8-6-9-24-11/h6,8-9H,2-5,7H2,1H3,(H2,17,22)(H,20,23)