2-[(1-cyclohexyl-6-oxidanyl-4-oxidanylidene-2-thiophen-3-yl-pyrimidin-5-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-cyclohexyl-6-oxidanyl-4-oxidanylidene-2-thiophen-3-yl-pyrimidin-5-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyclohexyl-6-hydroxy-4-oxo-2-(3-thienyl)pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyclohexyl-6-hydroxy-4-oxo-2-(3-thiophenyl)-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyclohexyl-6-hydroxy-4-oxo-2-thiophen-3-ylpyrimidine-5-carbonyl)amino]acetic acid Traditional Name: 2-[[1-cyclohexyl-6-hydroxy-4-keto-2-(3-thienyl)pyrimidine-5-carbonyl]amino]acetic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C(=O)N=C2C3=CSC=C3)C(=O)NCC(=O)O)O

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=O)N=C2C3=CSC=C3)C(=O)NCC(=O)O)O

InChI

InChI=1S/C17H19N3O5S/c21-12(22)8-18-15(23)13-16(24)19-14(10-6-7-26-9-10)20(17(13)25)11-4-2-1-3-5-11/h6-7,9,11,25H,1-5,8H2,(H,18,23)(H,21,22)