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

Systemtic Name: 2-[4-[(4-ethanoylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(4-acetylbenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[[[(4-acetylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(4-acetylbenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(4-acetylbenzoyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C24H24N6O5S MolecularWeight: 508.54956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N6O5S/c1-3-28-13-18(22(34)35)19(32)17-12-25-23(26-20(17)28)29-8-10-30(11-9-29)24(36)27-21(33)16-6-4-15(5-7-16)14(2)31/h4-7,12-13H,3,8-11H2,1-2H3,(H,34,35)(H,27,33,36)