sodium 1-ethyl-3-methyl-2,4-bis(oxidanylidene)-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: sodium 1-ethyl-3-methyl-2,4-bis(oxidanylidene)-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate Openeye Name: sodium 1-ethyl-3-methyl-2,4-dioxo-6-(4-quinolylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate CAS Name: sodium 1-ethyl-3-methyl-2,4-dioxo-6-(4-quinolinylmethyl)-5-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: sodium 1-ethyl-3-methyl-2,4-dioxo-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate Traditional Name: sodium 1-ethyl-2,4-diketo-3-methyl-6-(4-quinolylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate Formula: C20H16N3NaO4S MolecularWeight: 417.41351

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)[O-])C(=O)N(C1=O)C.[Na+]

Isomeric SMILES

CCN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)[O-])C(=O)N(C1=O)C.[Na+]

InChI

InChI=1S/C20H17N3O4S.Na/c1-3-23-18-16(17(24)22(2)20(23)27)15(19(25)26)14(28-18)10-11-8-9-21-13-7-5-4-6-12(11)13;/h4-9H,3,10H2,1-2H3,(H,25,26);/q;+1/p-1