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

Systemtic Name: 4-phenyl-2-[[4-[1-(1,2,4-triazol-1-yl)ethyl]phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-phenyl-2-[4-[1-(1,2,4-triazol-1-yl)ethyl]anilino]pyrimidine-5-carbonitrile CAS Name: 4-phenyl-2-[4-[1-(1,2,4-triazol-1-yl)ethyl]anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-phenyl-2-[4-[1-(1,2,4-triazol-1-yl)ethyl]anilino]pyrimidine-5-carbonitrile Traditional Name: 4-phenyl-2-[4-[1-(1,2,4-triazol-1-yl)ethyl]anilino]pyrimidine-5-carbonitrile Formula: C21H17N7 MolecularWeight: 367.40658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N)N4C=NC=N4

Isomeric SMILES

CC(C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N)N4C=NC=N4

InChI

InChI=1S/C21H17N7/c1-15(28-14-23-13-25-28)16-7-9-19(10-8-16)26-21-24-12-18(11-22)20(27-21)17-5-3-2-4-6-17/h2-10,12-15H,1H3,(H,24,26,27)