2-[4-(5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[5-phenyl-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]acetamide Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6OS/c1-19(2)29-23(34)17-32-13-8-14-33(16-15-32)26-24-21(20-9-4-3-5-10-20)18-35-27(24)31-25(30-26)22-11-6-7-12-28-22/h3-7,9-12,18-19H,8,13-17H2,1-2H3,(H,29,34)