2-(cyanomethylsulfanyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-(cyanomethylsulfanyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-olate Openeye Name: 2-(cyanomethylsulfanyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-olate CAS Name: 2-(cyanomethylthio)-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinolate IUPAC Name: 2-(cyanomethylsulfanyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-olate Traditional Name: 2-(cyanomethylthio)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-olate Formula: C15H10N3OS2- MolecularWeight: 312.3894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)SCC#N)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)SCC#N)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H11N3OS2/c1-9-11(10-5-3-2-4-6-10)12-13(19)17-15(20-8-7-16)18-14(12)21-9/h2-6H,8H2,1H3,(H,17,18,19)/p-1