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

Systemtic Name: 4-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)N

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)N

InChI

InChI=1S/C18H21N5O2S/c1-10-9-14(19)22-17(20-10)26-11(2)15(24)23-13-8-6-5-7-12(13)21-16(25)18(23,3)4/h5-9,11H,1-4H3,(H,21,25)(H2,19,20,22)