2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

InChI

InChI=1S/C22H16N4O3S/c23-8-9-26-19(11-24-15-6-7-17-18(10-15)29-13-28-17)25-21-20(22(26)27)16(12-30-21)14-4-2-1-3-5-14/h1-7,10,12,24H,9,11,13H2