3-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C17H13BrN4OS2 MolecularWeight: 433.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)NC(=S)N(C2=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

CC1=CC2=C(S1)NC(=S)N(C2=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C17H13BrN4OS2/c1-10-6-14-15(25-10)20-17(24)22(16(14)23)13-4-2-11(3-5-13)8-21-9-12(18)7-19-21/h2-7,9H,8H2,1H3,(H,20,24)