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

Systemtic Name: 4-pyridin-3-yl-2-[[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-(3-pyridyl)-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]pyrimidine-5-carbonitrile CAS Name: 4-(3-pyridinyl)-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-pyridin-3-yl-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]pyrimidine-5-carbonitrile Traditional Name: 4-(3-pyridyl)-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]pyrimidine-5-carbonitrile Formula: C20H16N8O MolecularWeight: 384.39404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N8O/c21-10-16-12-24-20(27-19(16)15-2-1-7-22-11-15)26-17-3-5-18(6-4-17)29-9-8-28-14-23-13-25-28/h1-7,11-14H,8-9H2,(H,24,26,27)