6-(benzotriazol-1-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15N7O2/c26-25(27)16-17(19-11-10-13-6-2-1-3-7-13)20-12-21-18(16)24-15-9-5-4-8-14(15)22-23-24/h1-9,12H,10-11H2,(H,19,20,21)