4,7,8-trimethyl-2-(3-oxidanylpropyl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-2-(3-oxidanylpropyl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-4,7,8-trimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4,7,8-trimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4,7,8-trimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-4,7,8-trimethyl-6-(4-phenoxyphenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CCCO)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CCCO)C)C

InChI

InChI=1S/C25H25N5O4/c1-16-17(2)30-21-22(27(3)25(33)28(23(21)32)14-7-15-31)26-24(30)29(16)18-10-12-20(13-11-18)34-19-8-5-4-6-9-19/h4-6,8-13,31H,7,14-15H2,1-3H3