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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-styrylsulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-(2-phenylethenylsulfonyl)-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-styrylsulfonyl-1,4-diazepane Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2S/c1-3-26-25(21-24-13-8-5-9-14-24)27(29-22(2)28-26)30-16-10-17-31(19-18-30)34(32,33)20-15-23-11-6-4-7-12-23/h4-9,11-15,20H,3,10,16-19,21H2,1-2H3