2-[[6-ethyl-3-(3-methoxypropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[6-ethyl-3-(3-methoxypropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[6-ethyl-3-(3-methoxypropyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[6-ethyl-3-(3-methoxypropyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[6-ethyl-3-(3-methoxypropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[6-ethyl-4-keto-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC3=CC=CC=C3C#N

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O2S2/c1-3-16-11-17-18(27-16)22-20(23(19(17)24)9-6-10-25-2)26-13-15-8-5-4-7-14(15)12-21/h4-5,7-8,11H,3,6,9-10,13H2,1-2H3