5-(3-bromophenyl)-1,3-dimethyl-6-(3-oxidanylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 5-(3-bromophenyl)-1,3-dimethyl-6-(3-oxidanylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(3-bromophenyl)-6-(3-hydroxypropyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(3-bromophenyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(3-bromophenyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(3-bromophenyl)-6-(3-hydroxypropyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC(=CC=C3)Br)CCCO

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC(=CC=C3)Br)CCCO

InChI

InChI=1S/C17H18BrN3O3/c1-19-13-10-21(7-4-8-22)15(11-5-3-6-12(18)9-11)14(13)16(23)20(2)17(19)24/h3,5-6,9-10,22H,4,7-8H2,1-2H3