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

Systemtic Name: 6-[2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Openeye Name: 4-allyl-6-[2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]-1,4-benzoxazin-3-one CAS Name: 6-[2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]-4-prop-2-enyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Traditional Name: 4-allyl-6-[2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]-1,4-benzoxazin-3-one Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C

InChI

InChI=1S/C21H19N3O4S/c1-4-7-24-15-8-14(5-6-17(15)28-10-18(24)26)16(25)9-23-11-22-20-19(21(23)27)12(2)13(3)29-20/h4-6,8,11H,1,7,9-10H2,2-3H3