5-chloranyl-N-ethyl-6-(methylsulfanylmethyl)-N-[(3-phenoxyphenyl)methyl]pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)OC2=CC=CC=C2)C3=NC=NC(=C3Cl)CSC

Isomeric SMILES

CCN(CC1=CC(=CC=C1)OC2=CC=CC=C2)C3=NC=NC(=C3Cl)CSC

InChI

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