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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclopropylmethyl)-5-nitro-N-propyl-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclopropylmethyl)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(cyclopropylmethyl)-5-nitro-N-propyl-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclopropylmethyl)-5-nitro-N-propylpyrimidin-4-amine Traditional Name: cyclopropylmethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-propyl-amine Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN(CC1CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H30N6O4/c1-2-7-28(14-17-3-4-17)23-21(29(30)31)22(24-15-25-23)27-10-8-26(9-11-27)13-18-5-6-19-20(12-18)33-16-32-19/h5-6,12,15,17H,2-4,7-11,13-14,16H2,1H3