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

Systemtic Name: 4-phenyl-2-[[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-phenyl-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]pyrimidine-5-carbonitrile CAS Name: 4-phenyl-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-phenyl-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]pyrimidine-5-carbonitrile Traditional Name: 4-phenyl-2-[4-[2-(1,2,4-triazol-1-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)OCCN4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)OCCN4C=NC=N4

InChI

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