6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 6-[(4-hydroxy-3-iodo-phenyl)methyl]-1-isobutyl-3-methyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 6-[(4-hydroxy-3-iodophenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 6-[(4-hydroxy-3-iodophenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 6-(4-hydroxy-3-iodo-benzyl)-1-isobutyl-3-methyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C18H20IN3O3 MolecularWeight: 453.27417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CN(C=C2C(=O)N(C1=O)C)CC3=CC(=C(C=C3)O)I

Isomeric SMILES

CC(C)CN1C2=CN(C=C2C(=O)N(C1=O)C)CC3=CC(=C(C=C3)O)I

InChI

InChI=1S/C18H20IN3O3/c1-11(2)7-22-15-10-21(8-12-4-5-16(23)14(19)6-12)9-13(15)17(24)20(3)18(22)25/h4-6,9-11,23H,7-8H2,1-3H3