6-(4-chloranyl-3-methyl-phenoxy)-N4-pyridin-4-yl-pyrimidine-4,5-diamine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N4-pyridin-4-yl-pyrimidine-4,5-diamine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N4-(4-pyridyl)pyrimidine-4,5-diamine CAS Name: 6-(4-chloro-3-methylphenoxy)-N4-pyridin-4-ylpyrimidine-4,5-diamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-4-N-pyridin-4-ylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3-methyl-phenoxy)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C16H14ClN5O MolecularWeight: 327.76826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O/c1-10-8-12(2-3-13(10)17)23-16-14(18)15(20-9-21-16)22-11-4-6-19-7-5-11/h2-9H,18H2,1H3,(H,19,20,21,22)