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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H30N6O4/c30-29(31)21-22(26-18-5-3-1-2-4-6-18)24-15-25-23(21)28-11-9-27(10-12-28)14-17-7-8-19-20(13-17)33-16-32-19/h7-8,13,15,18H,1-6,9-12,14,16H2,(H,24,25,26)