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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCCO)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCCO)C)C

InChI

InChI=1S/C21H25N5O3/c1-14-15(2)26-17-18(23(3)21(29)25(19(17)28)11-7-13-27)22-20(26)24(14)12-10-16-8-5-4-6-9-16/h4-6,8-9,27H,7,10-13H2,1-3H3