4-(4-chloranylphenoxy)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(4-chloranylphenoxy)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenoxy)pyrimidine CAS Name: 4-(4-chlorophenoxy)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenoxy)pyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(4-chlorophenoxy)pyrimidine Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC=N3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC=N3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O/c22-18-6-8-19(9-7-18)27-21-14-20(23-16-24-21)26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2