3-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylazepan-2-one Openeye Name: 3-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylazepan-2-one CAS Name: 3-[(4-amino-6-methyl-2-pyrimidinyl)thio]-2-azepanone IUPAC Name: 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(4-amino-6-methyl-pyrimidin-2-yl)thio]azepan-2-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2CCCCNC2=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)SC2CCCCNC2=O)N

InChI

InChI=1S/C11H16N4OS/c1-7-6-9(12)15-11(14-7)17-8-4-2-3-5-13-10(8)16/h6,8H,2-5H2,1H3,(H,13,16)(H2,12,14,15)