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

Systemtic Name: ethyl 3-[[6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-[4-(2,6-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-[4-(2,6-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C26H32N6O5 MolecularWeight: 508.56948

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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=C(C=CC=C4C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=C(C=CC=C4C)C

InChI

InChI=1S/C26H32N6O5/c1-4-36-22(33)10-11-31(17-21-9-6-16-37-21)26-24(32(34)35)25(27-18-28-26)30-14-12-29(13-15-30)23-19(2)7-5-8-20(23)3/h5-9,16,18H,4,10-15,17H2,1-3H3