3-(2-ethoxyphenyl)-2-[(4-ethyl-1,4-diazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-ethoxyphenyl)-2-[(4-ethyl-1,4-diazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-ethoxyphenyl)-2-[(4-ethyl-1,4-diazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-ethoxyphenyl)-2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-ethoxyphenyl)-2-[(4-ethyl-1,4-diazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-3-o-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)CC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4OCC

Isomeric SMILES

CCN1CCCN(CC1)CC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4OCC

InChI

InChI=1S/C22H28N4O2S/c1-3-24-11-7-12-25(14-13-24)16-20-23-21-17(10-15-29-21)22(27)26(20)18-8-5-6-9-19(18)28-4-2/h5-6,8-10,15H,3-4,7,11-14,16H2,1-2H3