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

Systemtic Name: ethyl 2-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]acetate CAS Name: 2-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]acetate Traditional Name: 2-[benzyl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]acetic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H25N5O4/c1-2-29-17(26)14-24(13-16-9-5-3-6-10-16)20-18(25(27)28)19(21-15-22-20)23-11-7-4-8-12-23/h3,5-6,9-10,15H,2,4,7-8,11-14H2,1H3