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

Systemtic Name: [4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

InChI

InChI=1S/C24H24N6OS/c31-24(20-8-4-15-32-20)29-12-5-11-28(13-14-29)22-19-16-25-30(18-6-2-1-3-7-18)23(19)27-21(26-22)17-9-10-17/h1-4,6-8,15-17H,5,9-14H2