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

Systemtic Name: 6-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4-propyl-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4-propyl-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propyl]-4-propyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4-propyl-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-4-propyl-1,4-benzoxazin-3-one Formula: C26H23N3O4S2 MolecularWeight: 505.60852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)SC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)SC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C26H23N3O4S2/c1-3-11-29-19-12-17(9-10-20(19)33-13-21(29)30)23(31)15(2)35-26-27-24(32)22-18(14-34-25(22)28-26)16-7-5-4-6-8-16/h4-10,12,14-15H,3,11,13H2,1-2H3,(H,27,28,32)