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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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