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

Systemtic Name: 2-[[2-methoxyethyl-(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2-hydroxy-3-phenoxy-propyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-3-phenoxypropyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-3-phenoxypropyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-hydroxy-3-phenoxy-propyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CCOC)CC(COC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CCOC)CC(COC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H27N3O4S/c1-14-15(2)29-21-19(14)20(26)22-18(23-21)12-24(9-10-27-3)11-16(25)13-28-17-7-5-4-6-8-17/h4-8,16,25H,9-13H2,1-3H3,(H,22,23,26)