5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-2-iodanyl-phenol

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-2-iodanyl-phenol Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodo-phenol CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-ethoxy-2-iodophenol IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodophenol Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-iodo-phenol Formula: C13H15IN4O2 MolecularWeight: 386.18827

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1I)O)CC2=CN=C(N=C2N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1I)O)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C13H15IN4O2/c1-2-20-10-5-7(4-9(19)11(10)14)3-8-6-17-13(16)18-12(8)15/h4-6,19H,2-3H2,1H3,(H4,15,16,17,18)