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

Systemtic Name: 5-[(4-butoxyphenyl)methyl]-6-chloranyl-N-methyl-2-methylsulfanyl-pyrimidin-4-amine Openeye Name: 5-[(4-butoxyphenyl)methyl]-6-chloro-N-methyl-2-methylsulfanyl-pyrimidin-4-amine CAS Name: 5-[(4-butoxyphenyl)methyl]-6-chloro-N-methyl-2-(methylthio)-4-pyrimidinamine IUPAC Name: 5-[(4-butoxyphenyl)methyl]-6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine Traditional Name: [5-(4-butoxybenzyl)-6-chloro-2-(methylthio)pyrimidin-4-yl]-methyl-amine Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)NC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)NC

InChI

InChI=1S/C17H22ClN3OS/c1-4-5-10-22-13-8-6-12(7-9-13)11-14-15(18)20-17(23-3)21-16(14)19-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,20,21)