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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C24H28N6O5 MolecularWeight: 480.51632

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O5/c1-2-34-21(31)10-11-29(17-20-9-6-16-35-20)24-22(30(32)33)23(25-18-26-24)28-14-12-27(13-15-28)19-7-4-3-5-8-19/h3-9,16,18H,2,10-15,17H2,1H3