4-azanyl-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-azanyl-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-amino-2-(3-cyanophenyl)-N-[2-(3-pyridyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-amino-2-(3-cyanophenyl)-N-[2-(3-pyridinyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-amino-2-(3-cyanophenyl)-N-[2-(3-pyridyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)C(=O)NCCC4=CN=CC=C4)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)C(=O)NCCC4=CN=CC=C4)N)C#N

InChI

InChI=1S/C21H16N6OS/c22-11-14-3-1-5-15(9-14)19-26-18(23)16-10-17(29-21(16)27-19)20(28)25-8-6-13-4-2-7-24-12-13/h1-5,7,9-10,12H,6,8H2,(H,25,28)(H2,23,26,27)