5-chloranyl-6-(methylsulfanylmethyl)-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine

Systemtic Name: 5-chloranyl-6-(methylsulfanylmethyl)-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine Openeye Name: 5-chloro-6-(methylsulfanylmethyl)-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine CAS Name: 5-chloro-6-[(methylthio)methyl]-N-[1-(3-phenoxyphenyl)propyl]-4-pyrimidinamine IUPAC Name: 5-chloro-6-(methylsulfanylmethyl)-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine Traditional Name: [5-chloro-6-[(methylthio)methyl]pyrimidin-4-yl]-[1-(3-phenoxyphenyl)propyl]amine Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=NC=NC(=C3Cl)CSC

Isomeric SMILES

CCC(C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=NC=NC(=C3Cl)CSC

InChI

InChI=1S/C21H22ClN3OS/c1-3-18(25-21-20(22)19(13-27-2)23-14-24-21)15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-12,14,18H,3,13H2,1-2H3,(H,23,24,25)