4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-6-(2-methylphenoxy)pyrimidine IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-6-(2-methylphenoxy)pyrimidine Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC(=NC=N3)OC4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC(=NC=N3)OC4=CC=CC=C4C

InChI

InChI=1S/C22H23ClN4O/c1-16-7-8-18(23)13-19(16)26-9-11-27(12-10-26)21-14-22(25-15-24-21)28-20-6-4-3-5-17(20)2/h3-8,13-15H,9-12H2,1-2H3