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

Systemtic Name: 4,7-dimethyl-2-(3-oxidanylpropyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-2-(3-hydroxypropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-2-(3-hydroxypropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CCCO)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CCCO)C

InChI

InChI=1S/C19H21N5O3/c1-13-11-24-15-16(21(2)19(27)22(17(15)26)9-6-10-25)20-18(24)23(13)12-14-7-4-3-5-8-14/h3-5,7-8,11,25H,6,9-10,12H2,1-2H3