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

Systemtic Name: 4,7-dimethyl-2-(3-oxidanylpropyl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(4-phenoxyphenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CCCO)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CCCO)C

InChI

InChI=1S/C24H23N5O4/c1-16-15-28-20-21(26(2)24(32)27(22(20)31)13-6-14-30)25-23(28)29(16)17-9-11-19(12-10-17)33-18-7-4-3-5-8-18/h3-5,7-12,15,30H,6,13-14H2,1-2H3