5-[(3-ethoxy-4-iodanyl-5-phenylmethoxy-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3-ethoxy-4-iodanyl-5-phenylmethoxy-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3-benzyloxy-5-ethoxy-4-iodo-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3-ethoxy-4-iodo-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3-ethoxy-4-iodo-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-benzoxy-5-ethoxy-4-iodo-benzyl)pyrimidin-4-yl]amine Formula: C20H21IN4O2 MolecularWeight: 476.31081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1I)OCC2=CC=CC=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1I)OCC2=CC=CC=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C20H21IN4O2/c1-2-26-16-9-14(8-15-11-24-20(23)25-19(15)22)10-17(18(16)21)27-12-13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H4,22,23,24,25)