1-(azepan-1-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C17H23N3OS2/c1-11-12(2)23-17-15(11)16(18-13(3)19-17)22-10-14(21)20-8-6-4-5-7-9-20/h4-10H2,1-3H3