propan-2-yl 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: propan-2-yl 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: isopropyl 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amino]acetic acid isopropyl ester Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N6O6/c1-14(2)33-18(28)10-22-20-19(27(29)30)21(24-12-23-20)26-7-5-25(6-8-26)11-15-3-4-16-17(9-15)32-13-31-16/h3-4,9,12,14H,5-8,10-11,13H2,1-2H3,(H,22,23,24)