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

Systemtic Name: 6-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-[(4-chlorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-chlorobenzyl)amine Formula: C17H12ClN7O2 MolecularWeight: 381.77588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN7O2/c18-12-7-5-11(6-8-12)9-19-16-15(25(26)27)17(21-10-20-16)24-14-4-2-1-3-13(14)22-23-24/h1-8,10H,9H2,(H,19,20,21)