4-[5-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)pentyl]benzoic acid

Systemtic Name: 4-[5-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)pentyl]benzoic acid Openeye Name: 4-[5-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)pentyl]benzoic acid CAS Name: 4-[5-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)pentyl]benzoic acid IUPAC Name: 4-[5-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)pentyl]benzoic acid Traditional Name: 4-[5-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)pentyl]benzoic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

InChI

InChI=1S/C18H19N3O3S/c19-18-20-15(22)14-10-13(25-16(14)21-18)5-3-1-2-4-11-6-8-12(9-7-11)17(23)24/h6-10H,1-5H2,(H,23,24)(H3,19,20,21,22)