1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-prop-2-enoxy-purine-2,6-dione

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-prop-2-enoxy-purine-2,6-dione Openeye Name: 8-allyloxy-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-prop-2-enoxypurine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-prop-2-enoxypurine-2,6-dione Traditional Name: 8-allyloxy-1-(2,4-dichlorobenzyl)-3,7-dimethyl-xanthine Formula: C17H16Cl2N4O3 MolecularWeight: 395.23994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC=C)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OCC=C)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C17H16Cl2N4O3/c1-4-7-26-16-20-14-13(21(16)2)15(24)23(17(25)22(14)3)9-10-5-6-11(18)8-12(10)19/h4-6,8H,1,7,9H2,2-3H3