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

Systemtic Name: 4,7-dimethyl-6-(3-phenylazanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-anilinopropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-anilinopropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-anilinopropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-anilinopropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCNC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCNC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H20N6O2/c1-12-11-24-14-15(22(2)18(26)21-16(14)25)20-17(24)23(12)10-6-9-19-13-7-4-3-5-8-13/h3-5,7-8,11,19H,6,9-10H2,1-2H3,(H,21,25,26)