2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-keto-6,7-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(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)C

InChI

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