2-azanyl-5-iodanyl-6-(3-propoxyphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-iodanyl-6-(3-propoxyphenyl)-1H-pyrimidin-4-one Openeye Name: 2-amino-5-iodo-6-(3-propoxyphenyl)-1H-pyrimidin-4-one CAS Name: 2-amino-5-iodo-6-(3-propoxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-iodo-6-(3-propoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-amino-5-iodo-6-(3-propoxyphenyl)-1H-pyrimidin-4-one Formula: C13H14IN3O2 MolecularWeight: 371.17363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)N)I

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)N)I

InChI

InChI=1S/C13H14IN3O2/c1-2-6-19-9-5-3-4-8(7-9)11-10(14)12(18)17-13(15)16-11/h3-5,7H,2,6H2,1H3,(H3,15,16,17,18)