6-[4-(diphenylmethyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(2-methoxy-5-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C29H30N6O3 MolecularWeight: 510.5869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N6O3/c1-21-13-14-25(38-2)24(19-21)32-28-27(35(36)37)29(31-20-30-28)34-17-15-33(16-18-34)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19-20,26H,15-18H2,1-2H3,(H,30,31,32)