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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCCO)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCCO)C

InChI

InChI=1S/C20H23N5O3/c1-14-13-25-16-17(22(2)20(28)24(18(16)27)10-6-12-26)21-19(25)23(14)11-9-15-7-4-3-5-8-15/h3-5,7-8,13,26H,6,9-12H2,1-2H3