4-azanyl-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-azanyl-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-amino-5-benzyl-2-thioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 4-amino-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-amino-5-benzyl-2-thioxo-1H-pyrimidine-6-carboxylic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC(=S)N=C2N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC(=S)N=C2N)C(=O)O

InChI

InChI=1S/C12H11N3O2S/c13-10-8(6-7-4-2-1-3-5-7)9(11(16)17)14-12(18)15-10/h1-5H,6H2,(H,16,17)(H3,13,14,15,18)