6-(4-methylpiperazin-1-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 2-(4-benzyl-1-piperidyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(4-benzylpiperidino)-6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O2/c1-25-11-13-26(14-12-25)20-18(28(29)30)19(22)23-21(24-20)27-9-7-17(8-10-27)15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H2,22,23,24)