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

Systemtic Name: methyl 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H22N6O6 MolecularWeight: 430.41458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O6/c1-29-16(26)9-20-18-17(25(27)28)19(22-11-21-18)24-6-4-23(5-7-24)10-13-2-3-14-15(8-13)31-12-30-14/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,20,21,22)