2-[[(2-oxidanyl-2-phenyl-ethyl)-(phenylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(2-oxidanyl-2-phenyl-ethyl)-(phenylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[benzyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-2-phenylethyl)-(phenylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[benzyl-(2-hydroxy-2-phenylethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[benzyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=NC(=O)C3=C(N2)C=CS3)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=NC(=O)C3=C(N2)C=CS3)CC(C4=CC=CC=C4)O

InChI

InChI=1S/C22H21N3O2S/c26-19(17-9-5-2-6-10-17)14-25(13-16-7-3-1-4-8-16)15-20-23-18-11-12-28-21(18)22(27)24-20/h1-12,19,26H,13-15H2,(H,23,24,27)