5,6-dimethyl-2-[[2-oxidanylbutyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[2-oxidanylbutyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[benzyl(2-hydroxybutyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-hydroxybutyl-(phenylmethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[benzyl(2-hydroxybutyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[benzyl(2-hydroxybutyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2)O

Isomeric SMILES

CCC(CN(CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2)O

InChI

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