1-[4-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N5O/c1-14(26)16-8-10-17(11-9-16)24-19-18(21)20(23-13-22-19)25(2)12-15-6-4-3-5-7-15/h3-11,13H,12,21H2,1-2H3,(H,22,23,24)