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

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-tosyl-1,4-diazepane Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

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