2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

InChI

InChI=1S/C19H22N4O2S2/c1-3-7-12(2)21-15(24)11-27-19-22-17-16(18(25)23(19)20)14(10-26-17)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11,20H2,1-2H3,(H,21,24)/t12-/m0/s1