6-(4-methyl-1,4-diazepan-1-yl)-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methyl-1,4-diazepan-1-yl)-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-(4-methyl-1,4-diazepan-1-yl)-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1,4-diazepan-1-yl)-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 6-(4-methyl-1,4-diazepan-1-yl)-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-phenyl-amine Formula: C16H22N6 MolecularWeight: 298.38608

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC=C3

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC=C3

InChI

InChI=1S/C16H22N6/c1-21-8-5-9-22(11-10-21)15-12-14(19-16(17)20-15)18-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H3,17,18,19,20)