5,6-dimethyl-2-[[2-methylpropyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[2-methylpropyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2-hydroxy-2-phenyl-ethyl)-isobutyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-2-phenylethyl)-(2-methylpropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-2-phenylethyl)-(2-methylpropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-hydroxy-2-phenyl-ethyl)-isobutyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(C)C)CC(C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(C)C)CC(C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H27N3O2S/c1-13(2)10-24(11-17(25)16-8-6-5-7-9-16)12-18-22-20(26)19-14(3)15(4)27-21(19)23-18/h5-9,13,17,25H,10-12H2,1-4H3,(H,22,23,26)