2-[[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[2-(1-azocanyl)-2-oxoethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[2-(azocan-1-yl)-2-oxoethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-(azocan-1-yl)-2-keto-ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)N3CCCCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)N3CCCCCCC3)C

InChI

InChI=1S/C18H25N3O2S2/c1-12-13(2)25-18-16(12)17(23)19-14(20-18)10-24-11-15(22)21-8-6-4-3-5-7-9-21/h3-11H2,1-2H3,(H,19,20,23)