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

Systemtic Name: 6-hexyl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-hexyl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-hexyl-4,7,8-trimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N5O3/c1-5-6-7-11-14-27-16(2)17(3)29-20-21(25-23(27)29)26(4)24(32)28(22(20)31)15-19(30)18-12-9-8-10-13-18/h8-10,12-13H,5-7,11,14-15H2,1-4H3