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

Systemtic Name: N-(diphenylmethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-benzhydryl-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(diphenylmethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-benzhydryl-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: benzhydryl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O2/c35-34(36)26-27(31-25(23-12-6-2-7-13-23)24-14-8-3-9-15-24)29-21-30-28(26)33-18-16-32(17-19-33)20-22-10-4-1-5-11-22/h1-15,21,25H,16-20H2,(H,29,30,31)