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

Systemtic Name: 2-[4-[(4-butoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(4-butoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[[4-[butoxy(oxo)methyl]anilino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(4-butoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(4-butoxycarbonylphenyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O5S/c1-3-5-14-37-24(36)17-6-8-18(9-7-17)28-26(38)32-12-10-31(11-13-32)25-27-15-19-21(33)20(23(34)35)16-30(4-2)22(19)29-25/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,28,38)(H,34,35)