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

Systemtic Name: 4,7-dimethyl-6-(2-phenylazanylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-anilinoethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-anilinoethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-anilinoethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-anilinoethyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCNC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCNC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H18N6O2/c1-11-10-23-13-14(21(2)17(25)20-15(13)24)19-16(23)22(11)9-8-18-12-6-4-3-5-7-12/h3-7,10,18H,8-9H2,1-2H3,(H,20,24,25)