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

Systemtic Name: 3-[4-azanyl-6-[(3-methoxypyridin-2-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[hydroxy-(3-methoxy-2-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[hydroxy-(3-methoxy-2-pyridinyl)methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[hydroxy-(3-methoxypyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[hydroxy-(3-methoxy-2-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)C(C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N)O

Isomeric SMILES

COC1=C(N=CC=C1)C(C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N)O

InChI

InChI=1S/C20H15N5O2S/c1-27-14-6-3-7-23-16(14)17(26)15-9-13-18(22)24-19(25-20(13)28-15)12-5-2-4-11(8-12)10-21/h2-9,17,26H,1H3,(H2,22,24,25)