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

Systemtic Name: 4,7-dimethyl-6-(3-oxidanylpropyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-hydroxypropyl)-4,7-dimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-hydroxypropyl)-4,7-dimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-hydroxypropyl)-4,7-dimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-hydroxypropyl)-4,7-dimethyl-2-(3-phenylpropyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCO)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCO)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5O3/c1-15-14-26-17-18(22-20(26)24(15)12-7-13-27)23(2)21(29)25(19(17)28)11-6-10-16-8-4-3-5-9-16/h3-5,8-9,14,27H,6-7,10-13H2,1-2H3