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

Systemtic Name: 4-[4-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)butyl]benzoic acid Openeye Name: 4-[4-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)butyl]benzoic acid CAS Name: 4-[4-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)butyl]benzoic acid IUPAC Name: 4-[4-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)butyl]benzoic acid Traditional Name: 4-[4-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)butyl]benzoic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

InChI

InChI=1S/C17H17N3O3S/c18-17-19-14(21)13-9-12(24-15(13)20-17)4-2-1-3-10-5-7-11(8-6-10)16(22)23/h5-9H,1-4H2,(H,22,23)(H3,18,19,20,21)