ethyl 2-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]ethanoate Openeye Name: ethyl 2-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-(2-pyridylmethyl)amino]acetate CAS Name: 2-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-(2-pyridinylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]acetate Traditional Name: 2-[(5-nitro-6-piperidino-pyrimidin-4-yl)-(2-pyridylmethyl)amino]acetic acid ethyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=N1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=N1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H24N6O4/c1-2-29-16(26)13-24(12-15-8-4-5-9-20-15)19-17(25(27)28)18(21-14-22-19)23-10-6-3-7-11-23/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3