3-methyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-methyl-2-[(4-pyrazol-1-ylbenzyl)thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H16N4OS3 MolecularWeight: 436.57294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)N4C=CC=N4)SC=C2C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)N4C=CC=N4)SC=C2C5=CC=CS5

InChI

InChI=1S/C21H16N4OS3/c1-24-20(26)18-16(17-4-2-11-27-17)13-28-19(18)23-21(24)29-12-14-5-7-15(8-6-14)25-10-3-9-22-25/h2-11,13H,12H2,1H3