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

Systemtic Name: 6-(2-ethylphenyl)-4,7-dimethyl-2-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-2-(3-hydroxypropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-2-(3-hydroxypropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C

InChI

InChI=1S/C20H23N5O3/c1-4-14-8-5-6-9-15(14)25-13(2)12-24-16-17(21-19(24)25)22(3)20(28)23(18(16)27)10-7-11-26/h5-6,8-9,12,26H,4,7,10-11H2,1-3H3