1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-propan-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-propan-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-isopropylsulfonyl-1,4-diazepane CAS Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-4-propan-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-4-propan-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-4-isopropylsulfonyl-1,4-diazepane Formula: C21H29FN4O2S MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H29FN4O2S/c1-15(2)29(27,28)26-10-6-9-25(11-12-26)21-20(16(3)23-17(4)24-21)14-18-7-5-8-19(22)13-18/h5,7-8,13,15H,6,9-12,14H2,1-4H3