6-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one

Systemtic Name: 6-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one Openeye Name: 6-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one CAS Name: 6-methyl-3-(methylamino)-1-(4-pyrimidinylmethyl)-2-azepanone IUPAC Name: 6-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one Traditional Name: 6-methyl-3-(methylamino)-1-(4-pyrimidylmethyl)azepan-2-one Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)N(C1)CC2=NC=NC=C2)NC

Isomeric SMILES

CC1CCC(C(=O)N(C1)CC2=NC=NC=C2)NC

InChI

InChI=1S/C13H20N4O/c1-10-3-4-12(14-2)13(18)17(7-10)8-11-5-6-15-9-16-11/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3