2-[4-[3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OCC(CSC2=NC(=C3C=CSC3=N2)N)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)OCC(CSC2=NC(=C3C=CSC3=N2)N)O

InChI

InChI=1S/C17H16N4O2S2/c18-7-5-11-1-3-13(4-2-11)23-9-12(22)10-25-17-20-15(19)14-6-8-24-16(14)21-17/h1-4,6,8,12,22H,5,9-10H2,(H2,19,20,21)