2-methyl-6-[2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-methyl-6-[2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-methyl-6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-methyl-6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-methyl-6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(C)SC3=NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(C)SC3=NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H21N3O4S2/c1-12-22(30)26-17-11-16(9-10-18(17)32-12)21(29)14(3)34-25-27-23(31)20-19(13(2)33-24(20)28-25)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H,26,30)(H,27,28,31)