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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[[6-(4-cinnamylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[6-(4-cinnamylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C27H32N6O5 MolecularWeight: 520.58018

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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)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC=CC4=CC=CC=C4

InChI

InChI=1S/C27H32N6O5/c1-2-37-24(34)12-14-32(20-23-11-7-19-38-23)27-25(33(35)36)26(28-21-29-27)31-17-15-30(16-18-31)13-6-10-22-8-4-3-5-9-22/h3-11,19,21H,2,12-18,20H2,1H3