1-[(3-bromophenyl)methyl]-5,7-dimethyl-3-prop-2-enoxy-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 1-[(3-bromophenyl)methyl]-5,7-dimethyl-3-prop-2-enoxy-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-allyloxy-1-[(3-bromophenyl)methyl]-5,7-dimethyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 1-[(3-bromophenyl)methyl]-5,7-dimethyl-3-prop-2-enoxypyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 1-[(3-bromophenyl)methyl]-5,7-dimethyl-3-prop-2-enoxypyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-allyloxy-1-(3-bromobenzyl)-5,7-dimethyl-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NN2CC3=CC(=CC=C3)Br)OCC=C)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NN2CC3=CC(=CC=C3)Br)OCC=C)C(=O)N(C1=O)C

InChI

InChI=1S/C17H17BrN4O3/c1-4-8-25-14-13-15(20(2)17(24)21(3)16(13)23)22(19-14)10-11-6-5-7-12(18)9-11/h4-7,9H,1,8,10H2,2-3H3