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

Systemtic Name: 8-ethyl-2-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-[(2-methoxydibenzofuran-3-yl)thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C28H26N6O5S MolecularWeight: 558.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC)C(=O)O

InChI

InChI=1S/C28H26N6O5S/c1-3-32-15-19(26(36)37)24(35)18-14-29-27(31-25(18)32)33-8-10-34(11-9-33)28(40)30-20-13-22-17(12-23(20)38-2)16-6-4-5-7-21(16)39-22/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,40)(H,36,37)