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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C28H27N7O4 MolecularWeight: 525.55848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N(CC5=CC=CC=C5)C6=CC=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N(CC5=CC=CC=C5)C6=CC=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C28H27N7O4/c36-35(37)26-27(33-14-12-32(13-15-33)17-22-9-10-23-24(16-22)39-20-38-23)30-19-31-28(26)34(25-8-4-5-11-29-25)18-21-6-2-1-3-7-21/h1-11,16,19H,12-15,17-18,20H2