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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-cyclopentyl-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-cyclopentyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCCC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCN(C1CCCC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H30N6O4/c1-2-9-29(19-5-3-4-6-19)24-22(30(31)32)23(25-16-26-24)28-12-10-27(11-13-28)15-18-7-8-20-21(14-18)34-17-33-20/h2,7-8,14,16,19H,1,3-6,9-13,15,17H2