2-[[[4-azanyl-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidin-2-yl]amino]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]propane-1,3-diol Openeye Name: 2-[[[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]methyl]propane-1,3-diol CAS Name: 2-[[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-pyrimidinyl]amino]methyl]propane-1,3-diol IUPAC Name: 2-[[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]methyl]propane-1,3-diol Traditional Name: 2-[[[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]methyl]propane-1,3-diol Formula: C18H25IN4O4 MolecularWeight: 488.31997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25IN4O4/c1-10(2)12-4-15(26-3)13(19)5-14(12)27-16-7-22-18(23-17(16)20)21-6-11(8-24)9-25/h4-5,7,10-11,24-25H,6,8-9H2,1-3H3,(H3,20,21,22,23)