2-(phenylmethyl)-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-(phenylmethyl)-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-benzyl-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-(phenylmethyl)-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-benzyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-benzyl-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H10N2O2S2 MolecularWeight: 302.3714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C=C(S3)C(=O)O)C(=S)N2

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C=C(S3)C(=O)O)C(=S)N2

InChI

InChI=1S/C14H10N2O2S2/c17-14(18)10-7-9-12(19)15-11(16-13(9)20-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,17,18)(H,15,16,19)