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

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2,3-dichlorophenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(2,3-dichlorophenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(2,3-dichlorophenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (2,3-dichlorophenyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C20H18Cl2N6O2 MolecularWeight: 445.30192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(C(=CC=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(C(=CC=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18Cl2N6O2/c21-15-7-4-8-16(17(15)22)25-19-18(28(29)30)20(24-13-23-19)27-11-9-26(10-12-27)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,23,24,25)