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

Systemtic Name: 2-[[3-methylbutyl(2-oxidanylpropyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-hydroxypropyl(isopentyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-hydroxypropyl(3-methylbutyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[2-hydroxypropyl(3-methylbutyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-hydroxypropyl(isoamyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)CC(C)O

Isomeric SMILES

CC(C)CCN(CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)CC(C)O

InChI

InChI=1S/C21H27N3O2S/c1-14(2)9-10-24(11-15(3)25)12-18-22-20(26)19-17(13-27-21(19)23-18)16-7-5-4-6-8-16/h4-8,13-15,25H,9-12H2,1-3H3,(H,22,23,26)