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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[4-(2-methoxyphenyl)-1-piperidyl]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[4-(2-methoxyphenyl)-1-piperidinyl]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[4-(2-methoxyphenyl)piperidino]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C26H31N5O6 MolecularWeight: 509.55424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H31N5O6/c1-3-36-23(32)12-15-30(17-20-7-6-16-37-20)26-24(31(33)34)25(27-18-28-26)29-13-10-19(11-14-29)21-8-4-5-9-22(21)35-2/h4-9,16,18-19H,3,10-15,17H2,1-2H3