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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-(3-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-ethyl-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)N4CCCCCC4)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H29N3O3S2/c1-4-19-16(2)21-22(32-19)25-24(31-15-20(28)26-12-7-5-6-8-13-26)27(23(21)29)17-10-9-11-18(14-17)30-3/h9-11,14H,4-8,12-13,15H2,1-3H3