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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-besyl-1,4-diazepane Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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