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

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(3-chloro-4-methoxy-phenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methoxyphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(3-chloro-4-methoxy-phenyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCN(C3=N2)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCN(C3=N2)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C18H18ClN5O3/c1-4-7-24-16(25)14-15(21(2)18(24)26)20-17-22(8-9-23(14)17)11-5-6-13(27-3)12(19)10-11/h4-6,10H,1,7-9H2,2-3H3