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

Systemtic Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-o-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CS3)CN4CCCN(CC4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CS3)CN4CCCN(CC4)C

InChI

InChI=1S/C21H26N4O2S/c1-3-27-18-8-5-4-7-17(18)25-19(15-24-11-6-10-23(2)12-13-24)22-20-16(21(25)26)9-14-28-20/h4-5,7-9,14H,3,6,10-13,15H2,1-2H3