[2-[(E)-dimethylaminomethylideneamino]-6-iodanyl-4-oxidanylidene-pteridin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-[(E)-dimethylaminomethylideneamino]-6-iodanyl-4-oxidanylidene-pteridin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-[(E)-dimethylaminomethyleneamino]-6-iodo-4-oxo-pteridin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(E)-dimethylaminomethylideneamino]-6-iodo-4-oxo-3-pteridinyl]methyl ester IUPAC Name: [2-[(E)-dimethylaminomethylideneamino]-6-iodo-4-oxopteridin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[(E)-dimethylaminomethyleneamino]-6-iodo-4-keto-pteridin-3-yl]methyl ester Formula: C15H19IN6O3 MolecularWeight: 458.25423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=O)C2=NC(=CN=C2N=C1N=CN(C)C)I

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=O)C2=NC(=CN=C2N=C1/N=C/N(C)C)I

InChI

InChI=1S/C15H19IN6O3/c1-15(2,3)13(24)25-8-22-12(23)10-11(17-6-9(16)19-10)20-14(22)18-7-21(4)5/h6-7H,8H2,1-5H3/b18-7+