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

Systemtic Name: 8-ethyl-2-[4-[(4-methoxy-4-oxidanylidene-2-phenyl-butyl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-[(4-methoxy-4-oxo-2-phenyl-butyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[[(4-methoxy-4-oxo-2-phenylbutyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(4-methoxy-4-oxo-2-phenylbutyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-[(4-keto-4-methoxy-2-phenyl-butyl)thiocarbamoyl]piperazino]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)NCC(CC(=O)OC)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O5S/c1-3-30-16-20(24(35)36)22(34)19-15-27-25(29-23(19)30)31-9-11-32(12-10-31)26(38)28-14-18(13-21(33)37-2)17-7-5-4-6-8-17/h4-8,15-16,18H,3,9-14H2,1-2H3,(H,28,38)(H,35,36)