4-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-chlorophenyl)-5-nitro-pyrimidin-2-amine

Systemtic Name: 4-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-chlorophenyl)-5-nitro-pyrimidin-2-amine Openeye Name: 4-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-chlorophenyl)-5-nitro-pyrimidin-2-amine CAS Name: 4-[4-[bis(4-methoxyphenyl)methyl]-1-piperazinyl]-N-(4-chlorophenyl)-5-nitro-2-pyrimidinamine IUPAC Name: 4-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-chlorophenyl)-5-nitropyrimidin-2-amine Traditional Name: [4-[4-[bis(4-methoxyphenyl)methyl]piperazino]-5-nitro-pyrimidin-2-yl]-(4-chlorophenyl)amine Formula: C29H29ClN6O4 MolecularWeight: 561.03136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C4=NC(=NC=C4[N+](=O)[O-])NC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C4=NC(=NC=C4[N+](=O)[O-])NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H29ClN6O4/c1-39-24-11-3-20(4-12-24)27(21-5-13-25(40-2)14-6-21)34-15-17-35(18-16-34)28-26(36(37)38)19-31-29(33-28)32-23-9-7-22(30)8-10-23/h3-14,19,27H,15-18H2,1-2H3,(H,31,32,33)