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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1-benzyl-4-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1-benzylpiperidin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: (1-benzyl-4-piperidyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C28H33N7O4 MolecularWeight: 531.60612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

InChI

InChI=1S/C28H33N7O4/c36-35(37)26-27(31-23-8-10-32(11-9-23)17-21-4-2-1-3-5-21)29-19-30-28(26)34-14-12-33(13-15-34)18-22-6-7-24-25(16-22)39-20-38-24/h1-7,16,19,23H,8-15,17-18,20H2,(H,29,30,31)