ethyl 1-[2-[(phenylmethyl)amino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(phenylmethyl)amino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(benzylamino)pyrido[4,3-d]pyrimidin-5-yl]piperidine-4-carboxylate CAS Name: 1-[2-[(phenylmethyl)amino]-5-pyrido[4,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzylamino)pyrido[4,3-d]pyrimidin-5-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(benzylamino)pyrido[4,3-d]pyrimidin-5-yl]isonipecotic acid ethyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=CC3=NC(=NC=C32)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=CC3=NC(=NC=C32)NCC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-2-29-21(28)17-9-12-27(13-10-17)20-18-15-25-22(26-19(18)8-11-23-20)24-14-16-6-4-3-5-7-16/h3-8,11,15,17H,2,9-10,12-14H2,1H3,(H,24,25,26)