N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(1,3-dioxolan-2-ylmethyl)-methyl-amine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1OCCO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1OCCO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O4/c1-23(14-17-29-11-12-30-17)19-18(26(27)28)20(22-15-21-19)25-9-7-24(8-10-25)13-16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3