2-[(4-tert-butylphenyl)-chloranyl-phenyl-methyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[(4-tert-butylphenyl)-chloranyl-phenyl-methyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[(4-tert-butylphenyl)-chloro-phenyl-methyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[(4-tert-butylphenyl)-chloro-phenylmethyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[(4-tert-butylphenyl)-chloro-phenylmethyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[(4-tert-butylphenyl)-chloro-phenyl-methyl]-1,4,5,6-tetrahydropyrimidine Formula: C21H25ClN2 MolecularWeight: 340.8896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NCCCN3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NCCCN3)Cl

InChI

InChI=1S/C21H25ClN2/c1-20(2,3)16-10-12-18(13-11-16)21(22,17-8-5-4-6-9-17)19-23-14-7-15-24-19/h4-6,8-13H,7,14-15H2,1-3H3,(H,23,24)