6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-[(4-methylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N6O3/c1-17-3-5-18(6-4-17)15-24-22-21(29(30)31)23(26-16-25-22)28-13-11-27(12-14-28)19-7-9-20(32-2)10-8-19/h3-10,16H,11-15H2,1-2H3,(H,24,25,26)