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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O4/c30-29(31)21-22(24-13-17-4-2-1-3-5-17)25-15-26-23(21)28-10-8-27(9-11-28)14-18-6-7-19-20(12-18)33-16-32-19/h1-7,12,15H,8-11,13-14,16H2,(H,24,25,26)