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

Systemtic Name: 4,7-dimethyl-2-phenethyl-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-phenethyl-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-phenethyl-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-phenethyl-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-2-phenethyl-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1)N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1)N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C17H17N5O2/c1-11-10-22-13-14(19-16(22)18-11)20(2)17(24)21(15(13)23)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,18,19)