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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-benzhydryl-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(diphenylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-benzhydryl-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: benzhydryl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C29H28N6O4 MolecularWeight: 524.57042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N6O4/c36-35(37)27-28(32-26(22-7-3-1-4-8-22)23-9-5-2-6-10-23)30-19-31-29(27)34-15-13-33(14-16-34)18-21-11-12-24-25(17-21)39-20-38-24/h1-12,17,19,26H,13-16,18,20H2,(H,30,31,32)