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

Systemtic Name: 6-(benzimidazol-1-yl)-N-[(4-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-[(4-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-[(4-chlorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-[(4-chlorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-chlorobenzyl)amine Formula: C18H13ClN6O2 MolecularWeight: 380.78782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN6O2/c19-13-7-5-12(6-8-13)9-20-17-16(25(26)27)18(22-10-21-17)24-11-23-14-3-1-2-4-15(14)24/h1-8,10-11H,9H2,(H,20,21,22)