S-(3-azanyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl) 2-phenylazanylethanethioate

Systemtic Name: S-(3-azanyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl) 2-phenylazanylethanethioate Openeye Name: S-(3-amino-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl) 2-anilinoethanethioate CAS Name: 2-anilinoethanethioic acid S-(3-amino-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: S-(3-amino-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl) 2-anilinoethanethioate Traditional Name: 2-anilinoethanethioic acid S-(3-amino-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl) ester Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(=O)CNC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC(=O)CNC3=CC=CC=C3)N)C

InChI

InChI=1S/C16H16N4O2S2/c1-9-10(2)23-14-13(9)15(22)20(17)16(19-14)24-12(21)8-18-11-6-4-3-5-7-11/h3-7,18H,8,17H2,1-2H3