4-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine

Systemtic Name: 4-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Openeye Name: 4-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine CAS Name: 4-[(3-methoxyphenyl)thio]-N-[3-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-pyrimidinamine IUPAC Name: 4-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Traditional Name: [4-[(3-methoxyphenyl)thio]pyrimidin-2-yl]-[3-(2-pyrrolidinoethoxy)phenyl]amine Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC(=CC=C3)OCCN4CCCC4

Isomeric SMILES

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC(=CC=C3)OCCN4CCCC4

InChI

InChI=1S/C23H26N4O2S/c1-28-19-7-5-9-21(17-19)30-22-10-11-24-23(26-22)25-18-6-4-8-20(16-18)29-15-14-27-12-2-3-13-27/h4-11,16-17H,2-3,12-15H2,1H3,(H,24,25,26)