methyl 3-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-(phenylmethyl)amino]propanoate Openeye Name: methyl 3-[benzyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[benzyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]propanoate Traditional Name: 3-[benzyl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]propionic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC(=O)CCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H25N5O4/c1-29-17(26)10-13-24(14-16-8-4-2-5-9-16)20-18(25(27)28)19(21-15-22-20)23-11-6-3-7-12-23/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3