6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[3-(1-imidazolyl)propyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-imidazol-1-ylpropyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H19N7O2 MolecularWeight: 341.36776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCCN4C=CN=C4)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C16H19N7O2/c1-10-11(2)23-12-13(20(3)16(25)19-14(12)24)18-15(23)22(10)7-4-6-21-8-5-17-9-21/h5,8-9H,4,6-7H2,1-3H3,(H,19,24,25)