4-(6-aminocarbonyl-8-oxidanylidene-9-thiophen-2-yl-7H-purin-2-yl)benzoate

Systemtic Name: 4-(6-aminocarbonyl-8-oxidanylidene-9-thiophen-2-yl-7H-purin-2-yl)benzoate Openeye Name: 4-[6-carbamoyl-8-oxo-9-(2-thienyl)-7H-purin-2-yl]benzoate CAS Name: 4-(6-carbamoyl-8-oxo-9-thiophen-2-yl-7H-purin-2-yl)benzoate IUPAC Name: 4-(6-carbamoyl-8-oxo-9-thiophen-2-yl-7H-purin-2-yl)benzoate Traditional Name: 4-[6-carbamoyl-8-keto-9-(2-thienyl)-7H-purin-2-yl]benzoate Formula: C17H10N5O4S- MolecularWeight: 380.3574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C17H11N5O4S/c18-13(23)11-12-15(22(17(26)20-12)10-2-1-7-27-10)21-14(19-11)8-3-5-9(6-4-8)16(24)25/h1-7H,(H2,18,23)(H,20,26)(H,24,25)/p-1