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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C23H31N7O4 MolecularWeight: 469.53674

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H31N7O4/c1-26-7-5-18(6-8-26)27(2)22-21(30(31)32)23(25-15-24-22)29-11-9-28(10-12-29)14-17-3-4-19-20(13-17)34-16-33-19/h3-4,13,15,18H,5-12,14,16H2,1-2H3