1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(2-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(2-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(2-naphthylsulfonyl)-1,4-diazepane Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-21-27(19-23-9-4-3-5-10-23)28(30-22(2)29-21)31-15-8-16-32(18-17-31)35(33,34)26-14-13-24-11-6-7-12-25(24)20-26/h3-7,9-14,20H,8,15-19H2,1-2H3