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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O2/c1-12(13-7-3-2-4-8-13)21-17-16(25(26)27)18(20-11-19-17)24-15-10-6-5-9-14(15)22-23-24/h2-12H,1H3,(H,19,20,21)