6-butyl-4,7-dimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butyl-4,7-dimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-4,7-dimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-4,7-dimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H23N5O3/c1-4-5-11-24-14(2)12-25-17-18(22-20(24)25)23(3)21(29)26(19(17)28)13-16(27)15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3