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

Systemtic Name: 2-[4-[(3-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(3-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(3-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(3-carbethoxyphenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C24H26N6O5S MolecularWeight: 510.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(=O)OCC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(=O)OCC)C(=O)O

InChI

InChI=1S/C24H26N6O5S/c1-3-28-14-18(21(32)33)19(31)17-13-25-23(27-20(17)28)29-8-10-30(11-9-29)24(36)26-16-7-5-6-15(12-16)22(34)35-4-2/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,26,36)(H,32,33)