4,7,8-trimethyl-6-(oxolan-2-ylmethyl)-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-6-(oxolan-2-ylmethyl)-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-phenacyl-6-(tetrahydrofuran-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-(2-oxolanylmethyl)-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-(oxolan-2-ylmethyl)-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-2-phenacyl-6-(tetrahydrofurfuryl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CC4CCCO4)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CC4CCCO4)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C23H25N5O4/c1-14-15(2)28-19-20(24-22(28)26(14)12-17-10-7-11-32-17)25(3)23(31)27(21(19)30)13-18(29)16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-13H2,1-3H3