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

Systemtic Name: 4-[6-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoic acid Openeye Name: 4-[6-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoic acid CAS Name: 4-[6-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoic acid IUPAC Name: 4-[6-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoic acid Traditional Name: 4-[6-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

InChI

InChI=1S/C19H21N3O3S/c20-19-21-16(23)15-11-14(26-17(15)22-19)6-4-2-1-3-5-12-7-9-13(10-8-12)18(24)25/h7-11H,1-6H2,(H,24,25)(H3,20,21,22,23)