4-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)N2CC(=O)NC3=CC=CC=C32)N

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C)C(=O)N2CC(=O)NC3=CC=CC=C32)N

InChI

InChI=1S/C16H17N5O2S/c1-9-7-13(17)20-16(18-9)24-10(2)15(23)21-8-14(22)19-11-5-3-4-6-12(11)21/h3-7,10H,8H2,1-2H3,(H,19,22)(H2,17,18,20)