N-[(2-chlorophenyl)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-[(2-chlorophenyl)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-chlorophenyl)methyl]-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(2-chlorophenyl)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2-chlorobenzyl)-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H20ClFN6O2 MolecularWeight: 442.873903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClFN6O2/c22-18-4-2-1-3-15(18)13-24-20-19(29(30)31)21(26-14-25-20)28-11-9-27(10-12-28)17-7-5-16(23)6-8-17/h1-8,14H,9-13H2,(H,24,25,26)