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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-(4-benzylpiperazino)-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H23N5O3/c1-2-25-14-17(20(28)29)18(27)16-12-22-21(23-19(16)25)26-10-8-24(9-11-26)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,28,29)