1-[3-[(4-azanyl-2-methylsulfanyl-pyrimidin-5-yl)methyl]-4-butoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(4-azanyl-2-methylsulfanyl-pyrimidin-5-yl)methyl]-4-butoxy-phenyl]ethanone Openeye Name: 1-[3-[(4-amino-2-methylsulfanyl-pyrimidin-5-yl)methyl]-4-butoxy-phenyl]ethanone CAS Name: 1-[3-[[4-amino-2-(methylthio)-5-pyrimidinyl]methyl]-4-butoxyphenyl]ethanone IUPAC Name: 1-[3-[(4-amino-2-methylsulfanylpyrimidin-5-yl)methyl]-4-butoxyphenyl]ethanone Traditional Name: 1-[3-[[4-amino-2-(methylthio)pyrimidin-5-yl]methyl]-4-butoxy-phenyl]ethanone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)CC2=CN=C(N=C2N)SC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)CC2=CN=C(N=C2N)SC

InChI

InChI=1S/C18H23N3O2S/c1-4-5-8-23-16-7-6-13(12(2)22)9-14(16)10-15-11-20-18(24-3)21-17(15)19/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21)