2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)C

InChI

InChI=1S/C21H18N2O3S2/c1-4-8-23-20(25)16-7-9-27-19(16)22-21(23)28-11-14-10-17(24)26-18-13(3)12(2)5-6-15(14)18/h4-7,9-10H,1,8,11H2,2-3H3