methyl N-[6-(2-butylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate

Systemtic Name: methyl N-[6-(2-butylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Openeye Name: methyl N-[6-(2-butylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate CAS Name: N-[6-[2-(butylthio)phenyl]-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-(2-butylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Traditional Name: N-[6-[2-(butylthio)phenyl]-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C2CCN=C(N2)NC(=O)OC

Isomeric SMILES

CCCCSC1=CC=CC=C1C2CCN=C(N2)NC(=O)OC

InChI

InChI=1S/C16H23N3O2S/c1-3-4-11-22-14-8-6-5-7-12(14)13-9-10-17-15(18-13)19-16(20)21-2/h5-8,13H,3-4,9-11H2,1-2H3,(H2,17,18,19,20)