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

Systemtic Name: 4-[3-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoic acid Openeye Name: 4-[3-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoic acid CAS Name: 4-[3-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoic acid IUPAC Name: 4-[3-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

InChI

InChI=1S/C16H15N3O3S/c17-16-18-13(20)12-8-11(23-14(12)19-16)3-1-2-9-4-6-10(7-5-9)15(21)22/h4-8H,1-3H2,(H,21,22)(H3,17,18,19,20)