3-(2-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-(2-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-(2-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-(2-chlorophenyl)-7-(3,4-dichlorobenzyl)xanthine Formula: C21H15Cl3N4O2 MolecularWeight: 461.7284

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=CN2CC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C4=CC=CC=C4Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(N=CN2CC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H15Cl3N4O2/c1-2-9-27-20(29)18-19(28(21(27)30)17-6-4-3-5-15(17)23)25-12-26(18)11-13-7-8-14(22)16(24)10-13/h2-8,10,12H,1,9,11H2