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

Systemtic Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-besyl-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane Formula: C25H30N4O2S MolecularWeight: 450.5963

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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)C4=CC=CC=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-19-10-12-22(13-11-19)18-24-20(2)26-21(3)27-25(24)28-14-7-15-29(17-16-28)32(30,31)23-8-5-4-6-9-23/h4-6,8-13H,7,14-18H2,1-3H3