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

Systemtic Name: 6-(3-chloranyl-2-methyl-phenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(3-chloro-2-methyl-phenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-2-methylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-2-methylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(3-chloro-2-methyl-phenyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C18H18ClN5O2 MolecularWeight: 371.82082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C

InChI

InChI=1S/C18H18ClN5O2/c1-4-8-24-16(25)14-15(21(3)18(24)26)20-17-22(9-10-23(14)17)13-7-5-6-12(19)11(13)2/h4-7H,1,8-10H2,2-3H3