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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[4-(2-hydroxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[4-(2-hydroxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C24H28N6O6 MolecularWeight: 496.51572

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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)C4=CC=CC=C4O

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C24H28N6O6/c1-2-35-21(32)9-10-29(16-18-6-5-15-36-18)24-22(30(33)34)23(25-17-26-24)28-13-11-27(12-14-28)19-7-3-4-8-20(19)31/h3-8,15,17,31H,2,9-14,16H2,1H3