4-(3-bromophenyl)sulfanyl-N-[3,4-dimethoxy-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine

Systemtic Name: 4-(3-bromophenyl)sulfanyl-N-[3,4-dimethoxy-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Openeye Name: 4-(3-bromophenyl)sulfanyl-N-[3,4-dimethoxy-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine CAS Name: 4-[(3-bromophenyl)thio]-N-[3,4-dimethoxy-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-pyrimidinamine IUPAC Name: 4-(3-bromophenyl)sulfanyl-N-[3,4-dimethoxy-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Traditional Name: [4-[(3-bromophenyl)thio]pyrimidin-2-yl]-[3,4-dimethoxy-5-(2-pyrrolidinoethoxy)phenyl]amine Formula: C24H27BrN4O3S MolecularWeight: 531.46518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)NC2=NC=CC(=N2)SC3=CC(=CC=C3)Br)OCCN4CCCC4)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)NC2=NC=CC(=N2)SC3=CC(=CC=C3)Br)OCCN4CCCC4)OC

InChI

InChI=1S/C24H27BrN4O3S/c1-30-20-15-18(16-21(23(20)31-2)32-13-12-29-10-3-4-11-29)27-24-26-9-8-22(28-24)33-19-7-5-6-17(25)14-19/h5-9,14-16H,3-4,10-13H2,1-2H3,(H,26,27,28)