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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-p-cumenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-16(2)17-7-9-18(10-8-17)19-14-29-22-21(19)23(28)26(15-24-22)13-20(27)25-11-5-3-4-6-12-25/h7-10,14-16H,3-6,11-13H2,1-2H3