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

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(2-chloro-3-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=C(N=CC=C3)Cl)C

Isomeric SMILES

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

InChI

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