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

Systemtic Name: 6-(4-dimethylaminophenyl)-4,7-dimethyl-2-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3/c1-13-12-25-16-17(23(4)20(29)24(18(16)28)10-5-11-27)21-19(25)26(13)15-8-6-14(7-9-15)22(2)3/h6-9,12,27H,5,10-11H2,1-4H3