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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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