3,3-dimethyl-4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Traditional Name: 4-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C20H24N4O3S/c1-5-8-13-11-16(25)23-19(21-13)28-12(2)17(26)24-15-10-7-6-9-14(15)22-18(27)20(24,3)4/h6-7,9-12H,5,8H2,1-4H3,(H,22,27)(H,21,23,25)