4-[(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C20H14N4OS2 MolecularWeight: 390.48136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C20H14N4OS2/c21-10-13-6-8-14(9-7-13)11-27-20-23-18-17(19(25)24(20)22)16(12-26-18)15-4-2-1-3-5-15/h1-9,12H,11,22H2