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

Systemtic Name: (2R)-3-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2R)-3-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-3-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2R)-3-[[6-ethyl-4-keto-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]-2-methyl-propionitrile Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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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(C)C#N)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SC[C@H](C)C#N)C

InChI

InChI=1S/C20H21N3O2S2/c1-5-16-13(3)17-18(27-16)22-20(26-11-12(2)10-21)23(19(17)24)14-7-6-8-15(9-14)25-4/h6-9,12H,5,11H2,1-4H3/t12-/m1/s1