tert-butyl 6-methanoyl-2-methylsulfanyl-4-oxidanylidene-pteridine-3-carboxylate

Systemtic Name: tert-butyl 6-methanoyl-2-methylsulfanyl-4-oxidanylidene-pteridine-3-carboxylate Openeye Name: tert-butyl 6-formyl-2-methylsulfanyl-4-oxo-pteridine-3-carboxylate CAS Name: 6-formyl-2-(methylthio)-4-oxo-3-pteridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-formyl-2-methylsulfanyl-4-oxopteridine-3-carboxylate Traditional Name: 6-formyl-4-keto-2-(methylthio)pteridine-3-carboxylic acid tert-butyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)C2=NC(=CN=C2N=C1SC)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)C2=NC(=CN=C2N=C1SC)C=O

InChI

InChI=1S/C13H14N4O4S/c1-13(2,3)21-12(20)17-10(19)8-9(16-11(17)22-4)14-5-7(6-18)15-8/h5-6H,1-4H3