6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(5-chloro-2-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C23H23ClN6O4 MolecularWeight: 482.91952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23ClN6O4/c1-15-2-4-17(24)11-18(15)27-22-21(30(31)32)23(26-13-25-22)29-8-6-28(7-9-29)12-16-3-5-19-20(10-16)34-14-33-19/h2-5,10-11,13H,6-9,12,14H2,1H3,(H,25,26,27)