1-[3-[(6-azanyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-5-ethanoyl-phenyl]ethanone

Systemtic Name: 1-[3-[(6-azanyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-5-ethanoyl-phenyl]ethanone Openeye Name: 1-[3-acetyl-5-[(6-amino-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[3-acetyl-5-[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-acetyl-5-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 1-[3-acetyl-5-[[6-amino-2-(methylthio)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1)NC2=NC(=NC(=C2)N)SC)C(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1)NC2=NC(=NC(=C2)N)SC)C(=O)C

InChI

InChI=1S/C15H16N4O2S/c1-8(20)10-4-11(9(2)21)6-12(5-10)17-14-7-13(16)18-15(19-14)22-3/h4-7H,1-3H3,(H3,16,17,18,19)