N2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidine-2,4-diamine

Systemtic Name: N2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidine-2,4-diamine Openeye Name: N2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidine-2,4-diamine CAS Name: N2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine IUPAC Name: 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine Traditional Name: [4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]-(2,2-dimethyl-1,3-dioxan-5-yl)amine Formula: C20H27IN4O4 MolecularWeight: 514.35725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC3COC(OC3)(C)C)I)OC

Isomeric SMILES

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC3COC(OC3)(C)C)I)OC

InChI

InChI=1S/C20H27IN4O4/c1-11(2)13-6-16(26-5)14(21)7-15(13)29-17-8-23-19(25-18(17)22)24-12-9-27-20(3,4)28-10-12/h6-8,11-12H,9-10H2,1-5H3,(H3,22,23,24,25)