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

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c29-28(30)20-21(23-15-18-7-3-1-4-8-18)24-17-25-22(20)27-13-11-26(12-14-27)16-19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24,25)