5-[4-[(2,4-dichlorophenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine

Systemtic Name: 5-[4-[(2,4-dichlorophenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine Openeye Name: 5-[4-[(2,4-dichlorophenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine CAS Name: 5-[4-[(2,4-dichlorophenyl)methylamino]-3-nitrophenyl]-2-pyrimidinamine IUPAC Name: 5-[4-[(2,4-dichlorophenyl)methylamino]-3-nitrophenyl]pyrimidin-2-amine Traditional Name: [4-(2-aminopyrimidin-5-yl)-2-nitro-phenyl]-(2,4-dichlorobenzyl)amine Formula: C17H13Cl2N5O2 MolecularWeight: 390.22342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CN=C(N=C2)N)[N+](=O)[O-])NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CN=C(N=C2)N)[N+](=O)[O-])NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2N5O2/c18-13-3-1-11(14(19)6-13)7-21-15-4-2-10(5-16(15)24(25)26)12-8-22-17(20)23-9-12/h1-6,8-9,21H,7H2,(H2,20,22,23)