3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C23H27N3O3S/c1-3-29-18-10-8-17(9-11-18)20-16(2)30-22-21(20)23(28)26(15-24-22)14-19(27)25-12-6-4-5-7-13-25/h8-11,15H,3-7,12-14H2,1-2H3