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

Systemtic Name: 3-[4-azanyl-6-[(2-morpholin-4-ylpyridin-3-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[hydroxy-(2-morpholino-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[hydroxy-[2-(4-morpholinyl)-3-pyridinyl]methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[hydroxy-(2-morpholin-4-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[hydroxy-(2-morpholino-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)C(C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N)O

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)C(C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N)O

InChI

InChI=1S/C23H20N6O2S/c24-13-14-3-1-4-15(11-14)21-27-20(25)17-12-18(32-23(17)28-21)19(30)16-5-2-6-26-22(16)29-7-9-31-10-8-29/h1-6,11-12,19,30H,7-10H2,(H2,25,27,28)