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

Systemtic Name: 4-pyridin-3-yl-2-[[4-(1,2,4-triazol-1-yl)phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-(3-pyridyl)-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carbonitrile CAS Name: 4-(3-pyridinyl)-2-[4-(1,2,4-triazol-1-yl)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-pyridin-3-yl-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carbonitrile Traditional Name: 4-(3-pyridyl)-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carbonitrile Formula: C18H12N8 MolecularWeight: 340.34148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C18H12N8/c19-8-14-10-22-18(25-17(14)13-2-1-7-20-9-13)24-15-3-5-16(6-4-15)26-12-21-11-23-26/h1-7,9-12H,(H,22,24,25)