N4-(4-methoxyphenyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methoxyphenyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N7O3/c1-32-18-9-7-17(8-10-18)24-21-19(29(30)31)20(23)25-22(26-21)28-13-11-27(12-14-28)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H3,23,24,25,26)