6-chloranyl-N-methyl-2-methylsulfanyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-methyl-2-methylsulfanyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 6-chloro-N-methyl-2-methylsulfanyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 6-chloro-N-methyl-2-(methylthio)-5-[(4-propoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 6-chloro-N-methyl-2-methylsulfanyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: [6-chloro-2-(methylthio)-5-(4-propoxybenzyl)pyrimidin-4-yl]-methyl-amine Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)NC

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)NC

InChI

InChI=1S/C16H20ClN3OS/c1-4-9-21-12-7-5-11(6-8-12)10-13-14(17)19-16(22-3)20-15(13)18-2/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)