8-ethyl-2-[4-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 8-ethyl-2-[4-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-[(1-methoxycarbonyl-2-methyl-propyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(1-carbomethoxy-2-methyl-propyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(C(C)C)C(=O)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(C(C)C)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H28N6O5S/c1-5-25-11-14(18(29)30)16(28)13-10-22-20(24-17(13)25)26-6-8-27(9-7-26)21(33)23-15(12(2)3)19(31)32-4/h10-12,15H,5-9H2,1-4H3,(H,23,33)(H,29,30)