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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N4O3/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)12(19)8-10/h1,5-6,8H,7,9H2,2-3H3