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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C19H26N6O5/c1-3-29-16(26)6-7-24(13-15-5-4-12-30-15)19-17(25(27)28)18(20-14-21-19)23-10-8-22(2)9-11-23/h4-5,12,14H,3,6-11,13H2,1-2H3