3-[2,4-bis(oxidanylidene)-1H-thieno[3,2-d]pyrimidin-3-yl]-5-chloranyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-[2,4-bis(oxidanylidene)-1H-thieno[3,2-d]pyrimidin-3-yl]-5-chloranyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-5-chloro-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)indole-2-carboxylic acid CAS Name: 5-chloro-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-chloro-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)indole-2-carboxylic acid Traditional Name: 1-benzyl-5-chloro-3-(2,4-diketo-1H-thieno[3,2-d]pyrimidin-3-yl)indole-2-carboxylic acid Formula: C22H14ClN3O4S MolecularWeight: 451.88226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C2C(=O)O)N4C(=O)C5=C(C=CS5)NC4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C2C(=O)O)N4C(=O)C5=C(C=CS5)NC4=O

InChI

InChI=1S/C22H14ClN3O4S/c23-13-6-7-16-14(10-13)17(26-20(27)19-15(8-9-31-19)24-22(26)30)18(21(28)29)25(16)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,30)(H,28,29)