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

Systemtic Name: sodium 3-methyl-2,4-bis(oxidanylidene)-1-propyl-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate Openeye Name: sodium 3-methyl-2,4-dioxo-1-propyl-6-(4-quinolylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate CAS Name: sodium 3-methyl-2,4-dioxo-1-propyl-6-(4-quinolinylmethyl)-5-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: sodium 3-methyl-2,4-dioxo-1-propyl-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate Traditional Name: sodium 2,4-diketo-3-methyl-1-propyl-6-(4-quinolylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate Formula: C21H18N3NaO4S MolecularWeight: 431.44009

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)[O-])C(=O)N(C1=O)C.[Na+]

Isomeric SMILES

CCCN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)[O-])C(=O)N(C1=O)C.[Na+]

InChI

InChI=1S/C21H19N3O4S.Na/c1-3-10-24-19-17(18(25)23(2)21(24)28)16(20(26)27)15(29-19)11-12-8-9-22-14-7-5-4-6-13(12)14;/h4-9H,3,10-11H2,1-2H3,(H,26,27);/q;+1/p-1