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

Systemtic Name: 3-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[6-ethyl-5-methyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]propanenitrile IUPAC Name: 3-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[6-ethyl-4-keto-5-methyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionitrile Formula: C20H21N3OS2 MolecularWeight: 383.53024

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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)SCCC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS2/c1-4-16-14(3)17-18(26-16)22-20(25-11-5-10-21)23(19(17)24)12-15-8-6-13(2)7-9-15/h6-9H,4-5,11-12H2,1-3H3