6-(benzotriazol-1-yl)-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(3,5-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(3,5-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C18H15N7O2 MolecularWeight: 361.3574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C18H15N7O2/c1-11-7-12(2)9-13(8-11)21-17-16(25(26)27)18(20-10-19-17)24-15-6-4-3-5-14(15)22-23-24/h3-10H,1-2H3,(H,19,20,21)