3-[[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-(3-ethoxypropyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC(=C2C)C

Isomeric SMILES

CCOCCCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC(=C2C)C

InChI

InChI=1S/C21H23N3O2S2/c1-4-26-10-6-9-24-20(25)18-14(2)15(3)28-19(18)23-21(24)27-13-17-8-5-7-16(11-17)12-22/h5,7-8,11H,4,6,9-10,13H2,1-3H3