[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H26N6OS/c1-17(2)21-26-22(19-16-25-30(23(19)27-21)18-8-4-3-5-9-18)28-11-7-12-29(14-13-28)24(31)20-10-6-15-32-20/h3-6,8-10,15-17H,7,11-14H2,1-2H3