6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-benzhydryl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-(diphenylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-benzhydryl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: benzhydryl-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C27H25ClN6O2 MolecularWeight: 500.9794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN6O2/c28-22-12-7-13-23(18-22)32-14-16-33(17-15-32)27-25(34(35)36)26(29-19-30-27)31-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,24H,14-17H2,(H,29,30,31)