5-azanyl-6-ethoxycarbonyl-2-methylsulfanyl-7H-thiopyrano[2,3-d]pyrimidine-7-carboxylic acid

Systemtic Name: 5-azanyl-6-ethoxycarbonyl-2-methylsulfanyl-7H-thiopyrano[2,3-d]pyrimidine-7-carboxylic acid Openeye Name: 5-amino-6-ethoxycarbonyl-2-methylsulfanyl-7H-thiopyrano[2,3-d]pyrimidine-7-carboxylic acid CAS Name: 5-amino-6-ethoxycarbonyl-2-(methylthio)-7H-thiopyrano[2,3-d]pyrimidine-7-carboxylic acid IUPAC Name: 5-amino-6-ethoxycarbonyl-2-methylsulfanyl-7H-thiopyrano[2,3-d]pyrimidine-7-carboxylic acid Traditional Name: 5-amino-6-carbethoxy-2-(methylthio)-7H-thiopyrano[2,3-d]pyrimidine-7-carboxylic acid Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CN=C(N=C2SC1C(=O)O)SC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CN=C(N=C2SC1C(=O)O)SC)N

InChI

InChI=1S/C12H13N3O4S2/c1-3-19-11(18)6-7(13)5-4-14-12(20-2)15-9(5)21-8(6)10(16)17/h4,8H,3,13H2,1-2H3,(H,16,17)