ethyl 3-[furan-2-ylmethyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]propanoate Traditional Name: 3-[2-furfuryl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]propionic acid ethyl ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H25N5O5/c1-2-28-16(25)8-11-23(13-15-7-6-12-29-15)19-17(24(26)27)18(20-14-21-19)22-9-4-3-5-10-22/h6-7,12,14H,2-5,8-11,13H2,1H3