4-[2-(4-chlorophenyl)sulfanyl-1-(phenylmethyl)azetidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanyl-1-(phenylmethyl)azetidin-3-yl]pyrimidin-2-amine Openeye Name: 4-[1-benzyl-2-(4-chlorophenyl)sulfanyl-azetidin-3-yl]pyrimidin-2-amine CAS Name: 4-[2-[(4-chlorophenyl)thio]-1-(phenylmethyl)-3-azetidinyl]-2-pyrimidinamine IUPAC Name: 4-[1-benzyl-2-(4-chlorophenyl)sulfanylazetidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[1-benzyl-2-[(4-chlorophenyl)thio]azetidin-3-yl]pyrimidin-2-yl]amine Formula: C20H19ClN4S MolecularWeight: 382.90966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N1CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N

Isomeric SMILES

C1C(C(N1CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N

InChI

InChI=1S/C20H19ClN4S/c21-15-6-8-16(9-7-15)26-19-17(18-10-11-23-20(22)24-18)13-25(19)12-14-4-2-1-3-5-14/h1-11,17,19H,12-13H2,(H2,22,23,24)