6-(3-chloranyl-4-methoxy-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-methoxy-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-methoxy-phenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C17H16ClN5O3/c1-8-9(2)23-13-14(21(3)17(25)20-15(13)24)19-16(23)22(8)10-5-6-12(26-4)11(18)7-10/h5-7H,1-4H3,(H,20,24,25)