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

Systemtic Name: 3-[4-azanyl-6-[(3-chloranylpyridin-4-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[(3-chloro-4-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(3-chloro-4-pyridinyl)methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[(3-chloropyridin-4-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[(3-chloro-4-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(C=NC=C4)Cl)N)C#N

Isomeric SMILES

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

InChI

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