2-[[cyclohexyl-(2-oxidanyl-3-propan-2-yloxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[cyclohexyl-(2-oxidanyl-3-propan-2-yloxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[cyclohexyl-(2-hydroxy-3-isopropoxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[cyclohexyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[cyclohexyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[cyclohexyl-(2-hydroxy-3-isopropoxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC(C)C)O)C3CCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC(C)C)O)C3CCCCC3)C

InChI

InChI=1S/C21H33N3O3S/c1-13(2)27-12-17(25)10-24(16-8-6-5-7-9-16)11-18-22-20(26)19-14(3)15(4)28-21(19)23-18/h13,16-17,25H,5-12H2,1-4H3,(H,22,23,26)