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

Systemtic Name: 8-ethyl-2-[4-(naphthalen-1-ylcarbamothioyl)piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 8-ethyl-2-[4-(1-naphthylcarbamothioyl)piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-2-[4-[(1-naphthalenylamino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-2-[4-(naphthalen-1-ylcarbamothioyl)piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-ethyl-5-keto-2-[4-(1-naphthylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C25H23N6O3S- MolecularWeight: 487.55352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC5=CC=CC=C54)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC5=CC=CC=C54)C(=O)[O-]

InChI

InChI=1S/C25H24N6O3S/c1-2-29-15-19(23(33)34)21(32)18-14-26-24(28-22(18)29)30-10-12-31(13-11-30)25(35)27-20-9-5-7-16-6-3-4-8-17(16)20/h3-9,14-15H,2,10-13H2,1H3,(H,27,35)(H,33,34)/p-1