8-oxidanylidene-2-[(2S)-pentan-2-yl]-9-thiophen-2-yl-7H-purine-6-carboxamide

Systemtic Name: 8-oxidanylidene-2-[(2S)-pentan-2-yl]-9-thiophen-2-yl-7H-purine-6-carboxamide Openeye Name: 2-[(1S)-1-methylbutyl]-8-oxo-9-(2-thienyl)-7H-purine-6-carboxamide CAS Name: 8-oxo-2-[(2S)-pentan-2-yl]-9-thiophen-2-yl-7H-purine-6-carboxamide IUPAC Name: 8-oxo-2-[(2S)-pentan-2-yl]-9-thiophen-2-yl-7H-purine-6-carboxamide Traditional Name: 8-keto-2-[(1S)-1-methylbutyl]-9-(2-thienyl)-7H-purine-6-carboxamide Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CS3)C(=O)N

Isomeric SMILES

CCC[C@H](C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CS3)C(=O)N

InChI

InChI=1S/C15H17N5O2S/c1-3-5-8(2)13-17-10(12(16)21)11-14(19-13)20(15(22)18-11)9-6-4-7-23-9/h4,6-8H,3,5H2,1-2H3,(H2,16,21)(H,18,22)/t8-/m0/s1