ethyl 1-[8-(1,3-benzodioxol-5-ylmethylamino)-2H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[8-(1,3-benzodioxol-5-ylmethylamino)-2H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[8-(1,3-benzodioxol-5-ylmethylamino)-2H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[8-(1,3-benzodioxol-5-ylmethylamino)-2H-pyrido[2,3-d]pyrimidin-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[8-(1,3-benzodioxol-5-ylmethylamino)-2H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[8-(piperonylamino)-2H-pyrido[2,3-d]pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2N=CC3=CC=CN(C3=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2N=CC3=CC=CN(C3=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N5O4/c1-2-30-22(29)17-7-10-27(11-8-17)23-24-14-18-4-3-9-28(21(18)26-23)25-13-16-5-6-19-20(12-16)32-15-31-19/h3-6,9,12,14,17,23,25H,2,7-8,10-11,13,15H2,1H3