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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxy-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxy-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-propargyloxy-xanthine Formula: C17H14Cl2N4O3 MolecularWeight: 393.22406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2N4O3/c1-4-7-26-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)9-10-5-6-11(18)8-12(10)19/h1,5-6,8H,7,9H2,2-3H3