thiophen-2-yl-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: thiophen-2-yl-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: 2-thienyl-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: thiophen-2-yl-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: thiophen-2-yl-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 2-thienyl-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC=CS3)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC=CS3)C)C

InChI

InChI=1S/C17H22N4OS/c1-12-13(2)18-14(3)19-16(12)20-7-5-8-21(10-9-20)17(22)15-6-4-11-23-15/h4,6,11H,5,7-10H2,1-3H3