(5-iodanyl-2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-(4-methoxyphenyl)methanone

Systemtic Name: (5-iodanyl-2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-(4-methoxyphenyl)methanone Openeye Name: (5-iodo-2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-(4-methoxyphenyl)methanone CAS Name: (5-iodo-2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-(4-methoxyphenyl)methanone IUPAC Name: (5-iodo-2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-(4-methoxyphenyl)methanone Traditional Name: (5-iodo-2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-(4-methoxyphenyl)methanone Formula: C16H14IN3O4 MolecularWeight: 439.20453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C3=C(N2)N=C(N=C3OC)OC)I

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C3=C(N2)N=C(N=C3OC)OC)I

InChI

InChI=1S/C16H14IN3O4/c1-22-9-6-4-8(5-7-9)13(21)12-11(17)10-14(18-12)19-16(24-3)20-15(10)23-2/h4-7H,1-3H3,(H,18,19,20)