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

Systemtic Name: 2-[[3-methoxypropyl-(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)-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-3-phenoxypropyl)-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-3-phenoxypropyl)-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-hydroxy-3-phenoxy-propyl)-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-15-16(2)30-22-20(15)21(27)23-19(24-22)13-25(10-7-11-28-3)12-17(26)14-29-18-8-5-4-6-9-18/h4-6,8-9,17,26H,7,10-14H2,1-3H3,(H,23,24,27)