2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C23H23N6O5S- MolecularWeight: 495.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCCO5)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCCO5)C(=O)[O-]

InChI

InChI=1S/C23H24N6O5S/c1-2-27-13-16(21(31)32)19(30)15-12-24-22(26-20(15)27)28-5-7-29(8-6-28)23(35)25-14-3-4-17-18(11-14)34-10-9-33-17/h3-4,11-13H,2,5-10H2,1H3,(H,25,35)(H,31,32)/p-1