4-[7-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid

Systemtic Name: 4-[7-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid Openeye Name: 4-[7-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid CAS Name: 4-[7-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid IUPAC Name: 4-[7-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid Traditional Name: 4-[7-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCC2=CC3=C(S2)N=C(NC3=O)N)C(=O)O

InChI

InChI=1S/C20H23N3O3S/c21-20-22-17(24)16-12-15(27-18(16)23-20)7-5-3-1-2-4-6-13-8-10-14(11-9-13)19(25)26/h8-12H,1-7H2,(H,25,26)(H3,21,22,23,24)