4-[(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid CAS Name: 4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid Traditional Name: 4-[(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

InChI

InChI=1S/C14H11N3O3S/c15-14-16-11(18)10-6-9(21-12(10)17-14)5-7-1-3-8(4-2-7)13(19)20/h1-4,6H,5H2,(H,19,20)(H3,15,16,17,18)