6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-methylsulfonylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: (4-mesylbenzyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H26N6O6S MolecularWeight: 526.56484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N6O6S/c1-37(33,34)19-5-2-17(3-6-19)13-25-23-22(30(31)32)24(27-15-26-23)29-10-8-28(9-11-29)14-18-4-7-20-21(12-18)36-16-35-20/h2-7,12,15H,8-11,13-14,16H2,1H3,(H,25,26,27)