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

Systemtic Name: 8-(2-chloroethyl)-5-oxidanylidene-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-(2-chloroethyl)-5-oxo-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-(2-chloroethyl)-5-oxo-2-(1-piperazinyl)-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-(2-chloroethyl)-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-(2-chloroethyl)-5-keto-2-piperazino-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H16ClN5O3 MolecularWeight: 337.76154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C3C(=O)C(=CN(C3=N2)CCCl)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=C3C(=O)C(=CN(C3=N2)CCCl)C(=O)O

InChI

InChI=1S/C14H16ClN5O3/c15-1-4-20-8-10(13(22)23)11(21)9-7-17-14(18-12(9)20)19-5-2-16-3-6-19/h7-8,16H,1-6H2,(H,22,23)