N4-butyl-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-butyl-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-butyl-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine CAS Name: N4-butyl-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-butyl-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-butyl-amine Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)OC2=CC(=CC(=C2)C)C)N

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)OC2=CC(=CC(=C2)C)C)N

InChI

InChI=1S/C16H22N4O/c1-4-5-6-18-15-14(17)16(20-10-19-15)21-13-8-11(2)7-12(3)9-13/h7-10H,4-6,17H2,1-3H3,(H,18,19,20)