6-[2-(6-methyl-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-(6-methyl-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-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-1,4-benzoxazin-3-one CAS Name: 6-[2-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]-4-prop-2-enyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-methyl-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-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-1,4-benzoxazin-3-one Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O4S/c1-4-12-29-20-13-19(10-11-21(20)34-14-22(29)31)25(32)16(2)30-15-28-26-24(27(30)33)23(17(3)35-26)18-8-6-5-7-9-18/h4-11,13,15-16H,1,12,14H2,2-3H3