N-cyclopentyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: N-cyclopentyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-(4-benzylpiperazin-1-yl)-N-cyclopentyl-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopentyl-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-cyclopentyl-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-cyclopentyl-amine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O2/c1-2-12-28(20-10-6-7-11-20)23-21(29(30)31)22(24-18-25-23)27-15-13-26(14-16-27)17-19-8-4-3-5-9-19/h2-5,8-9,18,20H,1,6-7,10-17H2