8-ethyl-2-[4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 8-ethyl-2-[4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 8-ethyl-2-[4-[[(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-2-[4-[[[(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-2-[4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-[[(1R)-1-carbomethoxy-3-(methylthio)propyl]thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C21H27N6O5S2- MolecularWeight: 507.60628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(CCSC)C(=O)OC)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)N[C@H](CCSC)C(=O)OC)C(=O)[O-]

InChI

InChI=1S/C21H28N6O5S2/c1-4-25-12-14(18(29)30)16(28)13-11-22-20(24-17(13)25)26-6-8-27(9-7-26)21(33)23-15(5-10-34-3)19(31)32-2/h11-12,15H,4-10H2,1-3H3,(H,23,33)(H,29,30)/p-1/t15-/m1/s1