6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-(1-cyclohexenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H30N6O4/c31-30(32)22-23(25-9-8-18-4-2-1-3-5-18)26-16-27-24(22)29-12-10-28(11-13-29)15-19-6-7-20-21(14-19)34-17-33-20/h4,6-7,14,16H,1-3,5,8-13,15,17H2,(H,25,26,27)