2-[5-(3,4-dimethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[5-(3,4-dimethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[5-(3,4-dimethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[5-(3,4-dimethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[5-(3,4-dimethoxyphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N)OC

InChI

InChI=1S/C16H13N3O3S/c1-21-12-4-3-10(7-13(12)22-2)11-8-23-15-14(11)16(20)19(6-5-17)9-18-15/h3-4,7-9H,6H2,1-2H3