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

Systemtic Name: 5,6-dimethyl-2-[[(2-oxidanyl-2-phenyl-ethyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2-hydroxy-2-phenyl-ethyl)-isopropyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-2-phenylethyl)-propan-2-ylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-2-phenylethyl)-propan-2-ylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-hydroxy-2-phenyl-ethyl)-isopropyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-12(2)23(10-16(24)15-8-6-5-7-9-15)11-17-21-19(25)18-13(3)14(4)26-20(18)22-17/h5-9,12,16,24H,10-11H2,1-4H3,(H,21,22,25)