5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-(1-oxidanylbutan-2-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-(1-oxidanylbutan-2-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-[1-(hydroxymethyl)propyl]-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-(1-hydroxybutan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-(1-hydroxybutan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-6-(1-methylolpropyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C18H19BrN4O5 MolecularWeight: 451.27126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(CO)N1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19BrN4O5/c1-4-10(9-24)22-8-14-15(17(25)21(3)18(26)20(14)2)16(22)12-7-11(23(27)28)5-6-13(12)19/h5-8,10,24H,4,9H2,1-3H3