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

Systemtic Name: 6-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Openeye Name: 4-allyl-6-[2-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)propyl]-4-prop-2-enyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Traditional Name: 4-allyl-6-[2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-1,4-benzoxazin-3-one Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4S/c1-3-11-28-20-12-18(9-10-21(20)33-13-22(28)30)24(31)16(2)29-15-27-25-23(26(29)32)19(14-34-25)17-7-5-4-6-8-17/h3-10,12,14-16H,1,11,13H2,2H3