6-butan-2-yl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butan-2-yl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-phenacyl-6-sec-butyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butan-2-yl-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butan-2-yl-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-2-phenacyl-6-sec-butyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC(C)N1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H25N5O3/c1-6-13(2)26-14(3)15(4)27-18-19(23-21(26)27)24(5)22(30)25(20(18)29)12-17(28)16-10-8-7-9-11-16/h7-11,13H,6,12H2,1-5H3