tert-butyl 3-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: tert-butyl 3-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: tert-butyl 3-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]propionic acid tert-butyl ester Formula: C20H26N6O6 MolecularWeight: 446.45704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H26N6O6/c1-20(2,3)32-15(27)6-7-21-17-16(26(29)30)18(23-13-22-17)24-8-10-25(11-9-24)19(28)14-5-4-12-31-14/h4-5,12-13H,6-11H2,1-3H3,(H,21,22,23)