6-(3-chloranyl-4-methoxy-phenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-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-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(3-chloro-4-methoxy-phenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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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)N(C3=O)CC=C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)N(C3=O)CC=C)C)C

InChI

InChI=1S/C20H20ClN5O3/c1-6-9-24-18(27)16-17(23(4)20(24)28)22-19-25(11(2)12(3)26(16)19)13-7-8-15(29-5)14(21)10-13/h6-8,10H,1,9H2,2-5H3