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

Systemtic Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3S/c1-5-26-25(19-22-9-7-20(2)8-10-22)27(29-21(3)28-26)30-15-6-16-31(18-17-30)35(32,33)24-13-11-23(34-4)12-14-24/h7-14H,5-6,15-19H2,1-4H3