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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-methyl-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-N-methyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-methyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N6O4/c1-27(14-18-5-3-2-4-6-18)23-22(30(31)32)24(26-16-25-23)29-11-9-28(10-12-29)15-19-7-8-20-21(13-19)34-17-33-20/h2-8,13,16H,9-12,14-15,17H2,1H3