1-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-3-ethyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 1-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-3-ethyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-[3-(4-bromophenoxy)-2-hydroxy-propyl]-3-ethyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-ethyl-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-ethyl-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-[3-(4-bromophenoxy)-2-hydroxy-propyl]-3-ethyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C17H19BrN4O4 MolecularWeight: 423.26116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1N(C(=O)NC2=O)C)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=NN(C2=C1N(C(=O)NC2=O)C)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H19BrN4O4/c1-3-13-14-15(16(24)19-17(25)21(14)2)22(20-13)8-11(23)9-26-12-6-4-10(18)5-7-12/h4-7,11,23H,3,8-9H2,1-2H3,(H,19,24,25)