ethyl 5-ethoxy-2-[4-(phenylmethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-ethoxy-2-[4-(phenylmethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(4-benzylpiperazin-1-yl)-5-ethoxy-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-ethoxy-2-[4-(phenylmethyl)-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperazin-1-yl)-5-ethoxypyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(4-benzylpiperazino)-5-ethoxy-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=NC2=NC(=NC=C12)N3CCN(CC3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=NC2=NC(=NC=C12)N3CCN(CC3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C23H27N5O3/c1-3-30-20-18-14-25-23(26-21(18)24-15-19(20)22(29)31-4-2)28-12-10-27(11-13-28)16-17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3