6-[(4-azido-3-iodanyl-phenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one

Systemtic Name: 6-[(4-azido-3-iodanyl-phenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 6-[(4-azido-3-iodo-phenyl)methyl]-1-isobutyl-3-methyl-pyrrolo[3,4-d]pyridazin-4-one CAS Name: 6-[(4-azido-3-iodophenyl)methyl]-3-methyl-1-(2-methylpropyl)-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 6-[(4-azido-3-iodophenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one Traditional Name: 6-(4-azido-3-iodo-benzyl)-1-isobutyl-3-methyl-pyrrolo[3,4-d]pyridazin-4-one Formula: C18H19IN6O MolecularWeight: 462.28753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=CN(C=C21)CC3=CC(=C(C=C3)N=[N+]=[N-])I)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=CN(C=C21)CC3=CC(=C(C=C3)N=[N+]=[N-])I)C

InChI

InChI=1S/C18H19IN6O/c1-11(2)6-17-13-9-25(10-14(13)18(26)24(3)22-17)8-12-4-5-16(21-23-20)15(19)7-12/h4-5,7,9-11H,6,8H2,1-3H3