4-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[6-ethyl-5-methyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[6-ethyl-4-keto-5-methyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCCCC#N)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCCCC#N)C

InChI

InChI=1S/C21H23N3OS2/c1-4-17-15(3)18-19(27-17)23-21(26-12-6-5-11-22)24(20(18)25)13-16-9-7-14(2)8-10-16/h7-10H,4-6,12-13H2,1-3H3