N-[[3,5-bis(chloranyl)phenyl]methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[[3,5-bis(chloranyl)phenyl]methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[(3,5-dichlorophenyl)methyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[(3,5-dichlorophenyl)methyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[(3,5-dichlorophenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3,5-dichlorobenzyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H19Cl2N7O2 MolecularWeight: 460.31656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=CC(=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=CC(=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19Cl2N7O2/c21-15-9-14(10-16(22)11-15)12-24-19-18(29(30)31)20(26-13-25-19)28-7-5-27(6-8-28)17-3-1-2-4-23-17/h1-4,9-11,13H,5-8,12H2,(H,24,25,26)