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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-dibenzyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-dibenzyl-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C30H30N6O4 MolecularWeight: 538.597

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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)CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H30N6O4/c37-36(38)28-29(34-15-13-33(14-16-34)18-25-11-12-26-27(17-25)40-22-39-26)31-21-32-30(28)35(19-23-7-3-1-4-8-23)20-24-9-5-2-6-10-24/h1-12,17,21H,13-16,18-20,22H2