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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-naphthalen-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1-naphthyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1-naphthalenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-naphthalen-1-yl-5-nitropyrimidin-4-amine Traditional Name: 1-naphthyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C26H24N6O4 MolecularWeight: 484.50656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C26H24N6O4/c33-32(34)24-25(29-21-7-3-5-19-4-1-2-6-20(19)21)27-16-28-26(24)31-12-10-30(11-13-31)15-18-8-9-22-23(14-18)36-17-35-22/h1-9,14,16H,10-13,15,17H2,(H,27,28,29)