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

Systemtic Name: 3-[4-azanyl-6-[(2-chloranylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[(2-chloro-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(2-chloro-3-pyridinyl)methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[(2-chloropyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[(2-chloro-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C19H12ClN5S MolecularWeight: 377.85008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)CC4=C(N=CC=C4)Cl)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)CC4=C(N=CC=C4)Cl)N)C#N

InChI

InChI=1S/C19H12ClN5S/c20-16-12(5-2-6-23-16)8-14-9-15-17(22)24-18(25-19(15)26-14)13-4-1-3-11(7-13)10-21/h1-7,9H,8H2,(H2,22,24,25)