N4-(5-bromanylpyridin-2-yl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(5-bromo-2-pyridyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(5-bromo-2-pyridinyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(5-bromo-2-pyridyl)amino]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C16H15BrN6O MolecularWeight: 387.2339

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)N

InChI

InChI=1S/C16H15BrN6O/c1-24-12-4-2-3-11(7-12)22-15-14(18)16(21-9-20-15)23-13-6-5-10(17)8-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23)