5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chlorophenyl)pyrimidine

Systemtic Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chlorophenyl)pyrimidine Openeye Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chlorophenyl)pyrimidine CAS Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chlorophenyl)pyrimidine IUPAC Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chlorophenyl)pyrimidine Traditional Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chlorophenyl)pyrimidine Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C#CC2=CN=C(N=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1COC(OC1)C#CC2=CN=C(N=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O2/c1-2-3-4-16-13-24-19(25-14-16)10-5-15-11-22-20(23-12-15)17-6-8-18(21)9-7-17/h6-9,11-12,16,19H,2-4,13-14H2,1H3