2-[4-oxidanylidene-5-phenyl-2-[(prop-2-enylamino)methyl]thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-2-[(prop-2-enylamino)methyl]thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-[(allylamino)methyl]-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4-oxo-5-phenyl-2-[(prop-2-enylamino)methyl]-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-5-phenyl-2-[(prop-2-enylamino)methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[2-[(allylamino)methyl]-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC#N

Isomeric SMILES

C=CCNCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC#N

InChI

InChI=1S/C18H16N4OS/c1-2-9-20-11-15-21-17-16(18(23)22(15)10-8-19)14(12-24-17)13-6-4-3-5-7-13/h2-7,12,20H,1,9-11H2