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

Systemtic Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-N-methyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-N-methyl-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-N-methyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(1,3-dioxolan-2-yl)ethyl]-methyl-amine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1OCCO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CCC1OCCO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O4/c1-24(8-7-18-30-13-14-31-18)20-19(27(28)29)21(23-16-22-20)26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3