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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(phenylmethyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-benzylsulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-benzylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-benzylsulfonyl-1,4-diazepane Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-3-25-24(19-22-11-6-4-7-12-22)26(28-21(2)27-25)29-15-10-16-30(18-17-29)33(31,32)20-23-13-8-5-9-14-23/h4-9,11-14H,3,10,15-20H2,1-2H3