4-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-(3-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[[5,6-dimethyl-4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-(3-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(3-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3OS2/c1-13-14(2)25-17-16(13)18(23)22(12-15-8-4-3-5-9-15)19(21-17)24-11-7-6-10-20/h3-5,8-9H,6-7,11-12H2,1-2H3