2-azanyl-6-(phenylmethylsulfanyl)pyrimidine-4-carboxylic acid

Systemtic Name: 2-azanyl-6-(phenylmethylsulfanyl)pyrimidine-4-carboxylic acid Openeye Name: 2-amino-6-benzylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 2-amino-6-(phenylmethylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 2-amino-6-benzylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 2-amino-6-(benzylthio)pyrimidine-4-carboxylic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC(=C2)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC(=C2)C(=O)O)N

InChI

InChI=1S/C12H11N3O2S/c13-12-14-9(11(16)17)6-10(15-12)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H2,13,14,15)