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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-prop-2-ynoxy-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-prop-2-ynoxy-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-prop-2-ynoxypurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-prop-2-ynoxypurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-3,7-dimethyl-8-propargyloxy-xanthine Formula: C17H15BrN4O3 MolecularWeight: 403.23

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4O3/c1-4-9-25-16-19-14-13(20(16)2)15(23)22(17(24)21(14)3)10-11-5-7-12(18)8-6-11/h1,5-8H,9-10H2,2-3H3