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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-5-oxo-2-[4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-[(4-propoxybenzoyl)thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C25H28N6O5S MolecularWeight: 524.59202

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=NC=C4C(=O)C(=CN(C4=N3)CC)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=NC=C4C(=O)C(=CN(C4=N3)CC)C(=O)O

InChI

InChI=1S/C25H28N6O5S/c1-3-13-36-17-7-5-16(6-8-17)22(33)28-25(37)31-11-9-30(10-12-31)24-26-14-18-20(32)19(23(34)35)15-29(4-2)21(18)27-24/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,34,35)(H,28,33,37)