1-[4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C18H18N6O/c1-12(25)14-4-6-15(7-5-14)24-18-16(19)17(22-11-23-18)21-10-13-3-2-8-20-9-13/h2-9,11H,10,19H2,1H3,(H2,21,22,23,24)