N4-(5-chloranylpyridin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(5-chloranylpyridin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(5-chloro-2-pyridyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine CAS Name: N4-(5-chloro-2-pyridinyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(5-chloropyridin-2-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(5-chloro-2-pyridyl)amine Formula: C17H16ClN5O MolecularWeight: 341.79484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=NC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=NC=C(C=C3)Cl)C

InChI

InChI=1S/C17H16ClN5O/c1-10-5-11(2)7-13(6-10)24-17-15(19)16(21-9-22-17)23-14-4-3-12(18)8-20-14/h3-9H,19H2,1-2H3,(H,20,21,22,23)