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

Systemtic Name: 2-[4-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(1-benzyl-2-ethoxy-2-oxo-ethyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(1-benzyl-2-ethoxy-2-keto-ethyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C(=O)OCC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C(=O)OCC)C(=O)O

InChI

InChI=1S/C26H30N6O5S/c1-3-30-16-19(23(34)35)21(33)18-15-27-25(29-22(18)30)31-10-12-32(13-11-31)26(38)28-20(24(36)37-4-2)14-17-8-6-5-7-9-17/h5-9,15-16,20H,3-4,10-14H2,1-2H3,(H,28,38)(H,34,35)