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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-20-24(18-22-10-5-3-6-11-22)25(27-21(2)26-20)28-14-9-15-29(17-16-28)32(30,31)19-23-12-7-4-8-13-23/h3-8,10-13H,9,14-19H2,1-2H3