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

Systemtic Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-ethylphenyl)-6-(3-hydroxypropyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-ethylphenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-ethylphenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-ethylphenyl)-6-(3-hydroxypropyl)-2,4-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=C(C=C1)C2=CN3C4=C(N=C3N2CCCO)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCCO)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C20H23N5O3/c1-4-13-6-8-14(9-7-13)15-12-25-16-17(21-19(25)24(15)10-5-11-26)22(2)20(28)23(3)18(16)27/h6-9,12,26H,4-5,10-11H2,1-3H3