3-[4-[(2S)-butan-2-yl]phenyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[4-[(1S)-1-methylpropyl]phenyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[4-[(1S)-1-methylpropyl]phenyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N2OS2 MolecularWeight: 344.4942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)NC(=S)N(C2=O)C3=CC=C(C=C3)C(C)CC

Isomeric SMILES

CCC1=CC2=C(S1)NC(=S)N(C2=O)C3=CC=C(C=C3)[C@@H](C)CC

InChI

InChI=1S/C18H20N2OS2/c1-4-11(3)12-6-8-13(9-7-12)20-17(21)15-10-14(5-2)23-16(15)19-18(20)22/h6-11H,4-5H2,1-3H3,(H,19,22)/t11-/m0/s1