3-[[4-azanyl-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidin-2-yl]amino]propane-1,2-diol

Systemtic Name: 3-[[4-azanyl-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidin-2-yl]amino]propane-1,2-diol Openeye Name: 3-[[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]propane-1,2-diol CAS Name: 3-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-pyrimidinyl]amino]propane-1,2-diol IUPAC Name: 3-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,2-diol Traditional Name: 3-[[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]propane-1,2-diol Formula: C17H23IN4O4 MolecularWeight: 474.29339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NCC(CO)O)I)OC

Isomeric SMILES

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NCC(CO)O)I)OC

InChI

InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-7-21-17(22-16(15)19)20-6-10(24)8-23/h4-5,7,9-10,23-24H,6,8H2,1-3H3,(H3,19,20,21,22)