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

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-styrylsulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-(2-phenylethenylsulfonyl)-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-styrylsulfonyl-1,4-diazepane Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2S/c1-21-25(20-24-12-7-4-8-13-24)26(28-22(2)27-21)29-15-9-16-30(18-17-29)33(31,32)19-14-23-10-5-3-6-11-23/h3-8,10-14,19H,9,15-18,20H2,1-2H3