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

Systemtic Name: 5-[(3,4,5-triethoxy-2-iodanyl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3,4,5-triethoxy-2-iodo-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3,4,5-triethoxy-2-iodophenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4,5-triethoxy-2-iodophenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,4,5-triethoxy-2-iodo-benzyl)pyrimidin-4-yl]amine Formula: C17H23IN4O3 MolecularWeight: 458.29399

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)CC2=CN=C(N=C2N)N)I)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)CC2=CN=C(N=C2N)N)I)OCC)OCC

InChI

InChI=1S/C17H23IN4O3/c1-4-23-12-8-10(7-11-9-21-17(20)22-16(11)19)13(18)15(25-6-3)14(12)24-5-2/h8-9H,4-7H2,1-3H3,(H4,19,20,21,22)