7-tert-butyl-9-phenyl-2-phenylazanyl-purin-8-one

Systemtic Name: 7-tert-butyl-9-phenyl-2-phenylazanyl-purin-8-one Openeye Name: 2-anilino-7-tert-butyl-9-phenyl-purin-8-one CAS Name: 2-anilino-7-tert-butyl-9-phenyl-8-purinone IUPAC Name: 2-anilino-7-tert-butyl-9-phenylpurin-8-one Traditional Name: 2-anilino-7-tert-butyl-9-phenyl-purin-8-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=CN=C(N=C2N(C1=O)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=CN=C(N=C2N(C1=O)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c1-21(2,3)26-17-14-22-19(23-15-10-6-4-7-11-15)24-18(17)25(20(26)27)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24)