4-azanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-benzylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-benzylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-(benzylthio)pyrimidine-5-carboxylic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)N)C(=O)O

InChI

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