N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-tert-butyl-benzamide

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-tert-butyl-benzamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-tert-butyl-benzamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-4-tert-butylbenzamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-4-tert-butylbenzamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-tert-butyl-benzamide Formula: C22H26N8O MolecularWeight: 418.49484

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)N)N=C1N4C=CC=N4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)N)N=C1N4C=CC=N4

InChI

InChI=1S/C22H26N8O/c1-5-12-29-18-16(25-21(29)30-13-6-11-24-30)17(23)26-20(27-18)28-19(31)14-7-9-15(10-8-14)22(2,3)4/h6-11,13H,5,12H2,1-4H3,(H3,23,26,27,28,31)