3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O3S/c1-2-28-17-9-7-16(8-10-17)18-14-29-21-20(18)22(27)25(15-23-21)13-19(26)24-11-5-3-4-6-12-24/h7-10,14-15H,2-6,11-13H2,1H3