1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-(phenylmethyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-(phenylmethyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzylsulfonyl-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzylsulfonyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-benzylsulfonyl-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H32N4O2S/c1-20-10-12-23(13-11-20)18-25-21(2)27-22(3)28-26(25)29-14-7-15-30(17-16-29)33(31,32)19-24-8-5-4-6-9-24/h4-6,8-13H,7,14-19H2,1-3H3