6-(2-hydroxyethyl)-4,7-dimethyl-2-(naphthalen-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(naphthalen-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(1-naphthylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(1-naphthalenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(naphthalen-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(1-naphthylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCO)N(C(=O)N(C3=O)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCO)N(C(=O)N(C3=O)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C22H21N5O3/c1-14-12-26-18-19(23-21(26)25(14)10-11-28)24(2)22(30)27(20(18)29)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,12,28H,10-11,13H2,1-2H3