N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[(3-chloro-4-fluoro-phenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-chloro-4-fluoro-benzyl)amine Formula: C22H22ClFN6O2 MolecularWeight: 456.900483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN6O2/c23-18-12-17(6-7-19(18)24)13-25-21-20(30(31)32)22(27-15-26-21)29-10-8-28(9-11-29)14-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13-14H2,(H,25,26,27)