4-chloranyl-6-ethoxy-5-(3-methylpyridin-4-yl)-2-(1,2,4-triazol-1-yl)pyrimidine

Systemtic Name: 4-chloranyl-6-ethoxy-5-(3-methylpyridin-4-yl)-2-(1,2,4-triazol-1-yl)pyrimidine Openeye Name: 4-chloro-6-ethoxy-5-(3-methyl-4-pyridyl)-2-(1,2,4-triazol-1-yl)pyrimidine CAS Name: 4-chloro-6-ethoxy-5-(3-methyl-4-pyridinyl)-2-(1,2,4-triazol-1-yl)pyrimidine IUPAC Name: 4-chloro-6-ethoxy-5-(3-methylpyridin-4-yl)-2-(1,2,4-triazol-1-yl)pyrimidine Traditional Name: 4-chloro-6-ethoxy-5-(3-methyl-4-pyridyl)-2-(1,2,4-triazol-1-yl)pyrimidine Formula: C14H13ClN6O MolecularWeight: 316.74562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=NC(=N1)N2C=NC=N2)Cl)C3=C(C=NC=C3)C

Isomeric SMILES

CCOC1=C(C(=NC(=N1)N2C=NC=N2)Cl)C3=C(C=NC=C3)C

InChI

InChI=1S/C14H13ClN6O/c1-3-22-13-11(10-4-5-16-6-9(10)2)12(15)19-14(20-13)21-8-17-7-18-21/h4-8H,3H2,1-2H3