8-ethyl-5-oxidanylidene-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid trihydrate

Systemtic Name: 8-ethyl-5-oxidanylidene-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid trihydrate Openeye Name: 8-ethyl-5-oxo-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid trihydrate CAS Name: 8-ethyl-5-oxo-2-(1-piperazinyl)-6-pyrido[2,3-d]pyrimidinecarboxylic acid trihydrate IUPAC Name: 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid trihydrate Traditional Name: 8-ethyl-5-keto-2-piperazino-pyrido[2,3-d]pyrimidine-6-carboxylic acid trihydrate Formula: C14H23N5O6 MolecularWeight: 357.36232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O.O.O.O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O.O.O.O

InChI

InChI=1S/C14H17N5O3.3H2O/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;;;/h7-8,15H,2-6H2,1H3,(H,21,22);3*1H2