2-[2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexoxy]pyrimidine

Systemtic Name: 2-[2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexoxy]pyrimidine Openeye Name: 2-[2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexoxy]pyrimidine CAS Name: 2-[2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexoxy]pyrimidine IUPAC Name: 2-[2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexoxy]pyrimidine Traditional Name: 2-[2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexoxy]pyrimidine Formula: C19H22ClN5O MolecularWeight: 371.86388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(COC2=NC=CC=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC(CN1C=NC=N1)(COC2=NC=CC=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN5O/c1-2-3-9-19(12-25-15-21-14-24-25,16-5-7-17(20)8-6-16)13-26-18-22-10-4-11-23-18/h4-8,10-11,14-15H,2-3,9,12-13H2,1H3