3-methyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C17H28N4O MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)CC(C)C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)CC(C)C)C)C

InChI

InChI=1S/C17H28N4O/c1-12(2)11-16(22)20-7-6-8-21(10-9-20)17-13(3)14(4)18-15(5)19-17/h12H,6-11H2,1-5H3