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

Systemtic Name: 5,6-dimethyl-2-[[3-methylbutyl-(2-oxidanyl-3-phenyl-propyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2-hydroxy-3-phenyl-propyl)-isopentyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-3-phenylpropyl)-(3-methylbutyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-3-phenylpropyl)-(3-methylbutyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-hydroxy-3-phenyl-propyl)-isoamyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CCC(C)C)CC(CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CCC(C)C)CC(CC3=CC=CC=C3)O)C

InChI

InChI=1S/C23H31N3O2S/c1-15(2)10-11-26(13-19(27)12-18-8-6-5-7-9-18)14-20-24-22(28)21-16(3)17(4)29-23(21)25-20/h5-9,15,19,27H,10-14H2,1-4H3,(H,24,25,28)