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

Systemtic Name: 3,5,6-trimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[(4-pyrazol-1-ylbenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C19H18N4OS2 MolecularWeight: 382.50242

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4OS2/c1-12-13(2)26-17-16(12)18(24)22(3)19(21-17)25-11-14-5-7-15(8-6-14)23-10-4-9-20-23/h4-10H,11H2,1-3H3