1-[4-[3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=C3C=CSC3=N2)N)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=C3C=CSC3=N2)N)O

InChI

InChI=1S/C18H19N3O3S2/c1-2-15(23)11-3-5-13(6-4-11)24-9-12(22)10-26-18-20-16(19)14-7-8-25-17(14)21-18/h3-8,12,22H,2,9-10H2,1H3,(H2,19,20,21)