methyl N-[(2S)-2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]carbamate

Systemtic Name: methyl N-[(2S)-2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]carbamate Openeye Name: methyl N-[(2S)-2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]carbamate CAS Name: N-[(2S)-2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]carbamate Traditional Name: N-[(2S)-2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]carbamic acid methyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)OC)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

InChI

InChI=1S/C17H16N4O4S2/c1-9(13(22)19-17(24)25-2)27-16-20-14-12(15(23)21(16)18)11(8-26-14)10-6-4-3-5-7-10/h3-9H,18H2,1-2H3,(H,19,22,24)/t9-/m0/s1