5,6-dimethyl-3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-prop-2-enyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5,6-dimethyl-2-[(4-pyrazol-1-ylbenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)CC=C)C

InChI

InChI=1S/C21H20N4OS2/c1-4-11-24-20(26)18-14(2)15(3)28-19(18)23-21(24)27-13-16-6-8-17(9-7-16)25-12-5-10-22-25/h4-10,12H,1,11,13H2,2-3H3