2-[[cyclohexyl(2-oxidanylpropyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[cyclohexyl(2-oxidanylpropyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)C4CCCCC4)O

Isomeric SMILES

CC(CN(CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)C4CCCCC4)O

InChI

InChI=1S/C22H27N3O2S/c1-15(26)12-25(17-10-6-3-7-11-17)13-19-23-21(27)20-18(14-28-22(20)24-19)16-8-4-2-5-9-16/h2,4-5,8-9,14-15,17,26H,3,6-7,10-13H2,1H3,(H,23,24,27)