3-[4-azanyl-6-[(2-ethoxypyridin-3-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-[(2-ethoxypyridin-3-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[(2-ethoxy-3-pyridyl)-hydroxy-methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(2-ethoxy-3-pyridinyl)-hydroxymethyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[(2-ethoxypyridin-3-yl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[(2-ethoxy-3-pyridyl)-hydroxy-methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N)O

Isomeric SMILES

CCOC1=C(C=CC=N1)C(C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N)O

InChI

InChI=1S/C21H17N5O2S/c1-2-28-20-14(7-4-8-24-20)17(27)16-10-15-18(23)25-19(26-21(15)29-16)13-6-3-5-12(9-13)11-22/h3-10,17,27H,2H2,1H3,(H2,23,25,26)