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

Systemtic Name: 6-[2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Openeye Name: 4-allyl-6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-1-oxopropyl]-4-prop-2-enyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Traditional Name: 4-allyl-6-[2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-1,4-benzoxazin-3-one Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4S2/c1-4-12-30-19-13-18(10-11-20(19)34-14-21(30)31)24(32)16(3)36-27-28-25(33)23-22(15(2)35-26(23)29-27)17-8-6-5-7-9-17/h4-11,13,16H,1,12,14H2,2-3H3,(H,28,29,33)