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

Systemtic Name: 3-[4-azanyl-6-[(6-methoxypyridin-3-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[hydroxy-(6-methoxypyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[hydroxy-(6-methoxy-3-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=NC=C(C=C1)C(C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N)O

Isomeric SMILES

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

InChI

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