N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C29H29ClN6O4 MolecularWeight: 561.03136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl)OC

InChI

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