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

Systemtic Name: 2-[[[4-azanyl-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidin-2-yl]amino]methyl]-2-methyl-propane-1,3-diol Openeye Name: 2-[[[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]methyl]-2-methyl-propane-1,3-diol CAS Name: 2-[[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-pyrimidinyl]amino]methyl]-2-methylpropane-1,3-diol IUPAC Name: 2-[[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]methyl]-2-methylpropane-1,3-diol Traditional Name: 2-[[[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]methyl]-2-methyl-propane-1,3-diol Formula: C19H27IN4O4 MolecularWeight: 502.34655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27IN4O4/c1-11(2)12-5-15(27-4)13(20)6-14(12)28-16-7-22-18(24-17(16)21)23-8-19(3,9-25)10-26/h5-7,11,25-26H,8-10H2,1-4H3,(H3,21,22,23,24)