6-methoxy-5-oxidanyl-2-[3-(phenylmethoxycarbonylamino)thiophen-2-yl]pyrimidine-4-carboxylic acid

Systemtic Name: 6-methoxy-5-oxidanyl-2-[3-(phenylmethoxycarbonylamino)thiophen-2-yl]pyrimidine-4-carboxylic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-2-thienyl]-5-hydroxy-6-methoxy-pyrimidine-4-carboxylic acid CAS Name: 5-hydroxy-6-methoxy-2-[3-(phenylmethoxycarbonylamino)-2-thiophenyl]-4-pyrimidinecarboxylic acid IUPAC Name: 5-hydroxy-6-methoxy-2-[3-(phenylmethoxycarbonylamino)thiophen-2-yl]pyrimidine-4-carboxylic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-thienyl]-5-hydroxy-6-methoxy-pyrimidine-4-carboxylic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1O)C(=O)O)C2=C(C=CS2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=NC(=NC(=C1O)C(=O)O)C2=C(C=CS2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O6S/c1-26-16-13(22)12(17(23)24)20-15(21-16)14-11(7-8-28-14)19-18(25)27-9-10-5-3-2-4-6-10/h2-8,22H,9H2,1H3,(H,19,25)(H,23,24)