4-phenyl-2-[[4-[2-(1,2,3-triazol-2-yl)ethoxy]phenyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-phenyl-2-[[4-[2-(1,2,3-triazol-2-yl)ethoxy]phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-phenyl-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile CAS Name: 4-phenyl-2-[4-[2-(2-triazolyl)ethoxy]anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-phenyl-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile Traditional Name: 4-phenyl-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile Formula: C21H17N7O MolecularWeight: 383.40598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)OCCN4N=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)OCCN4N=CC=N4

InChI

InChI=1S/C21H17N7O/c22-14-17-15-23-21(27-20(17)16-4-2-1-3-5-16)26-18-6-8-19(9-7-18)29-13-12-28-24-10-11-25-28/h1-11,15H,12-13H2,(H,23,26,27)