8-ethyl-2-[4-(furan-2-ylcarbonylcarbamothioyl)piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 8-ethyl-2-[4-(furan-2-ylcarbonylcarbamothioyl)piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-(furan-2-carbonylcarbamothioyl)piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-(furan-2-carbonylcarbamothioyl)piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-2-[4-(2-furoylthiocarbamoyl)piperazino]-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CO4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CO4)C(=O)O

InChI

InChI=1S/C20H20N6O5S/c1-2-24-11-13(18(29)30)15(27)12-10-21-19(22-16(12)24)25-5-7-26(8-6-25)20(32)23-17(28)14-4-3-9-31-14/h3-4,9-11H,2,5-8H2,1H3,(H,29,30)(H,23,28,32)