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

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-2-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2-(4-ethyl-1-piperazinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-2-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N7O2/c1-2-26-12-14-28(15-13-26)22-24-20(23)19(29(30)31)21(25-22)27-10-8-18(9-11-27)16-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3,(H2,23,24,25)