1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-(1-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)C

InChI

InChI=1S/C30H34N4O2S/c1-4-28-27(21-24-15-13-22(2)14-16-24)30(32-23(3)31-28)33-17-8-18-34(20-19-33)37(35,36)29-12-7-10-25-9-5-6-11-26(25)29/h5-7,9-16H,4,8,17-21H2,1-3H3