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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid hydrate Openeye Name: 8-ethyl-5-oxo-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid hydrate CAS Name: 8-ethyl-5-oxo-2-(1-piperazinyl)-6-pyrido[2,3-d]pyrimidinecarboxylic acid hydrate IUPAC Name: 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid hydrate Traditional Name: 8-ethyl-5-keto-2-piperazino-pyrido[2,3-d]pyrimidine-6-carboxylic acid hydrate Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3.H2O/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);1H2