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

Systemtic Name: 2-[4-[(3-bromophenyl)carbonylcarbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(3-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(3-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(3-bromobenzoyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H21BrN6O4S MolecularWeight: 545.40894

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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(=CC=C4)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN6O4S/c1-2-27-12-16(20(32)33)17(30)15-11-24-21(25-18(15)27)28-6-8-29(9-7-28)22(34)26-19(31)13-4-3-5-14(23)10-13/h3-5,10-12H,2,6-9H2,1H3,(H,32,33)(H,26,31,34)